3748 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 8 7 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 9 9 10 10 11 11 12 13 8 3 5 15 8 22 12 13 6 7 14 16 17 18 19 20 21 9 10 11 12 23 13 24 25 26 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 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 2 3.732 3.732 2.866 4.5981 4.5981 5.4641 2.866 2.866 2 3.732 2 3.732 4.5981 3.1951 5.2181 4.5981 3.9781 5.1541 6.001 5.7741 4.269 1.4631 4.269 1.4631 4.269 0.5 1.5 0.5 -3 2 3 1.5 0 -1 -1.5 -1.5 -2.5 -2.5 1.38 1.81 3 3.62 3 0.9631 1.19 2.0369 0.19 -1.19 -1.19 -2.81 -2.81 8 8 8 8 8 8 4 4 9 9 10 11 12 13 10 11 12 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 164 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000000000000000000000000000000000000002C0000000000000000018000001E00180000000C28C19A043E80926A1000A802317754008280203502221AF8A13864D8082072C09591842108609000C8C9861400000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-isopropylpyridine-4-carbohydrazide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-propan-2-yl-4-pyridinecarbohydrazide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-propan-2-ylpyridine-4-carbohydrazide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-propan-2-ylpyridine-4-carbohydrazide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-propan-2-ylpyridine-4-carbohydrazide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-isopropylisonicotinohydrazide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NYMGNSNKLVNMIA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.105862047 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H13N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)NNC(=O)C1=CC=NC=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)NNC(=O)C1=CC=NC=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.105862047 13 0 0 0 0 0 0 0 1 -1