3637 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 7 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 6 6 8 8 9 9 10 10 11 12 4 7 18 3 7 11 19 20 6 7 8 9 11 10 13 12 14 12 16 15 17 1 1 1 1 2 2 1 1 1 1 2 2 1 1 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 4.666 5.5321 5.5321 5.5321 3.8 3.8 4.666 2.9061 2.9061 2 4.666 2 2.9132 2.9132 4.666 1.4643 1.4643 4.1291 5.5321 6.069 -0.9573 0.5427 1.5427 -1.4573 0.5427 1.5427 0.0427 0.008 2.0773 0.5219 2.0427 1.5635 -0.612 2.6973 2.6627 0.2098 1.8756 -1.2673 -2.0773 -1.1473 8 8 8 8 8 8 8 8 8 8 8 2 2 3 5 5 5 6 6 8 9 10 3 7 11 6 7 8 9 11 10 12 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 150 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07380000000000000000000000000000000000000003C4000000000000000B1F000001C00180000000C00C11A043DB0D0620000A202326760009204022080021CB8202044980820A280919180A00070880008C8071080800E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazin-1-ylhydrazine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-phthalazinylhydrazine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazin-1-ylhydrazine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazin-1-ylhydrazine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazin-1-yldiazane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phthalazin-1-ylhydrazine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RPTUSVTUFVMDQK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 160.074896272 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H8N4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 160.18 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=NN=C2NN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=NN=C2NN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 160.074896272 12 0 0 0 0 0 0 0 1 -1