181649 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 7 7 7 7 6 6 6 6 6 1 1 1 1 1 1 2 2 3 3 4 4 6 7 8 8 9 9 10 2 14 5 6 6 10 5 7 7 8 9 11 10 12 13 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 4.9889 4.6783 2.866 4.6783 5.2619 3.732 3.732 2.866 2 2 2.866 1.4631 1.4631 5.5956 -1.3137 -0.3632 -0.5584 1.2463 0.4416 -0.0584 0.9416 1.4416 0.9416 -0.0584 2.0616 1.2516 -0.3684 -1.4416 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 6 7 8 9 5 6 6 10 5 7 7 8 9 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 131 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 000003718063A0000000000000000000000000000001600000002C000000000000005801F800001C000C0800000808C117043DF0BE181000A2013667640082842F3112A03DD8203874988868E2C09991942008608002C8C8261000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxytriazolo[4,5-b]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxytriazolo[4,5-b]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxytriazolo[4,5-b]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxytriazolo[4,5-b]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-oxidanyl-[1,2,3]triazolo[4,5-b]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxytriazolo[4,5-b]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FPIRBHDGWMWJEP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 136.03851076 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H4N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 136.11 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(N=C1)N(N=N2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(N=C1)N(N=N2)O 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 2021.10.14 136.03851076 10 0 0 0 0 0 0 0 1 1