5381782 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 30 8 7 7 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 1 1 1 2 2 2 3 3 4 5 5 6 7 7 7 8 8 8 9 9 10 10 11 11 12 13 14 14 14 15 15 15 9 10 3 7 8 4 24 11 6 12 13 9 16 17 10 18 19 20 21 22 23 12 13 14 15 25 26 27 28 29 30 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 30 4.6261 4.6261 4.6261 3.7601 3.2601 4.2601 5.4921 3.7601 5.4921 3.7601 3.7601 2.9511 4.5691 2 5.5202 5.7042 6.1027 3.1495 3.548 6.1027 5.7042 3.548 3.1495 5.163 2.1916 1.4103 1.8084 5.7117 6.1098 5.3286 3.0194 1.0194 0.0194 -0.4806 -3.0194 -3.0194 1.5194 1.5194 2.5194 2.5194 -1.4806 -2.0684 -2.0684 -1.7594 -1.7594 0.9368 1.6271 1.6271 0.9368 2.4118 3.102 3.102 2.4118 -0.2906 -1.1697 -1.5678 -2.349 -2.349 -1.5678 -1.1697 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 307 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073A0000000000000000000000000000001000000002C0000000000000000000000001E00180000000808E180060200020204002001002000000000000000001020003800000200020000000300000000009000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3,5-dimethylpyrazol-4-ylidene)amino]morpholin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3,5-dimethyl-4-pyrazolylidene)amino]-4-morpholinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(3,5-dimethylpyrazol-4-ylidene)amino]morpholin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3,5-dimethylpyrazol-4-ylidene)amino]morpholin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3,5-dimethylpyrazol-4-ylidene)amino]morpholin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(3,5-dimethylpyrazol-4-ylidene)amino]-morpholino-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C9H15N5O/c1-7-9(8(2)11-10-7)12-13-14-3-5-15-6-4-14/h13H,3-6H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZYNVGGAXGOHBEG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 209.12766012 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C9H15N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 209.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NN=C(C1=NNN2CCOCC2)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NN=C(C1=NNN2CCOCC2)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 61.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 209.12766012 15 0 0 0 0 0 0 0 1 -1