744464
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7
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1
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13
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46
9
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26
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11
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14
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31
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49
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51
1
1
1
1
1
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1
2
1
1
2
1
1
1
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1
1
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1
1
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1
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1
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1
1
1
2
1
1
1
2
1
2
1
1
1
1
1
5
255
1
2
3
4
5
6
7
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10
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8.0622
6.3301
7.1962
5.4641
6.3301
4.5981
9.7942
6.3301
9.7942
8.9282
5.4641
7.1962
8.0622
8.9282
7.1962
5.4641
7.1962
6.3301
5.4641
3.732
3.732
2.866
2.866
2
2
10.0063
10.4048
6.7287
5.9316
10.4048
10.0063
8.5297
9.3267
5.252
4.8535
7.8067
7.4082
7.4516
7.8501
9.3267
8.5297
7.4082
7.8067
4.8535
5.252
4.5981
4.269
2.866
2.866
1.4631
1.4631
-1.75
1.25
-0.25
-0.25
-1.75
-1.75
-2.75
3.25
-1.75
-3.25
2.75
2.75
-2.75
-1.25
1.75
1.75
-1.25
0.25
-1.25
-1.25
-0.25
-1.75
0.25
-1.25
-0.25
-3.3326
-2.6423
3.725
3.725
-1.8577
-1.1674
-3.725
-3.725
3.3326
2.6423
2.6423
3.3326
-2.6423
-3.3326
-0.7751
-0.7751
1.1674
1.8577
1.8577
1.1674
-2.37
0.06
-2.37
0.87
-1.56
0.06
8
8
8
8
8
8
8
8
8
8
8
8
3
3
4
4
5
5
20
20
21
22
23
24
17
18
18
19
17
19
21
22
23
24
25
25
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
361
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B80000000000000000000000000000000000000003C58B100000000000001C000001C00100000000808C1100431D087C81000A00024426400820009210280098800086488882822C09991842008689002C8C8271000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-phenyl-4,6-bis(1-piperidyl)-1,3,5-triazin-2-amine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-phenyl-4,6-bis(1-piperidinyl)-1,3,5-triazin-2-amine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4,6-dipiperidino-s-triazin-2-yl)-phenyl-amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H26N6/c1-4-10-16(11-5-1)20-17-21-18(24-12-6-2-7-13-24)23-19(22-17)25-14-8-3-9-15-25/h1,4-5,10-11H,2-3,6-9,12-15H2,(H,20,21,22,23)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
UMVZIYQNOLOHNI-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
338.221895
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H26N6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
338.44994
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
57.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
338.221895
25
0
0
0
0
0
0
0
1
3