6408865
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
7
7
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
2
2
3
4
4
4
5
5
5
6
6
7
7
8
8
9
11
11
12
12
13
13
14
14
15
15
16
16
17
18
9
19
3
10
19
19
28
29
6
7
11
8
12
9
13
10
14
10
15
20
16
21
17
22
18
23
17
24
18
25
26
27
1
2
2
1
1
1
1
1
1
1
2
1
2
1
2
1
2
2
1
1
1
1
1
1
1
1
2
1
2
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
3.8398
4.8745
3.8329
2.3121
6.3813
6.8813
5.3813
6.3813
4.8813
5.3813
6.916
7.9228
4.8467
6.8882
6.4021
8.4506
5.3605
7.9298
3.3121
7.5359
8.2266
4.2267
6.572
6.7142
9.0706
5.0484
8.2377
2
2.0041
-0.4249
-2.217
-2.225
-1.3191
0.425
-0.441
0.425
-1.307
-0.441
-1.307
1.319
-0.4249
1.319
-2.217
2.225
-1.323
2.225
-2.225
-1.323
1.3118
0.1156
1.3118
-2.7503
2.7608
-1.3206
2.7608
-2.7632
-1.8548
-0.781
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
2
2
3
5
5
5
6
6
7
7
8
8
9
11
12
13
14
15
16
9
19
3
10
19
6
7
11
8
12
9
13
10
14
10
15
16
17
18
17
18
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
334
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
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
0
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C07380000000000000000000000000000000000000003C60C1000000000000F1F400001C00180000000C08811E0031D0F6481000A2032462640092842F2110A01D98202054988868A2C0999194A00870880248C8271080C00EC8000240001200209000048000240040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
phenanthro[9,10-e][1,2,4]triazin-3-amine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
3-phenanthro[9,10-e][1,2,4]triazinamine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
phenanthro[9,10-e][1,2,4]triazin-3-amine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
phenanthro[9,10-e][1,2,4]triazin-3-amine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
phenanthro[9,10-e][1,2,4]triazin-3-ylamine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C15H10N4/c16-15-17-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18-19-15/h1-8H,(H2,16,17,19)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
RRBPZBNIQKRFIZ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
1.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
246.090546
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C15H10N4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
246.2667
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)N
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
64.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
246.090546
19
0
0
0
0
0
0
0
1
3