9-(cyclopropylmethyl)-1-methyl-4-(6-methylpyridazin-3-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 833663
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: N1(c2nnc(cc2)C)CC2(N(CC1)C)CCN(C(=O)CC2)CC1CC1
• Canonical SMILES: Cc1ccc(nn1)N1CCN(C2(C1)CCC(=O)N(CC2)CC1CC1)C
• InChI: InChI=1S/C19H29N5O/c1-15-3-6-17(21-20-15)24-12-11-22(2)19(14-24)8-7-18(25)23(10-9-19)13-16-4-5-16/h3,6,16H,4-5,7-14H2,1-2H3
• InChIKey: JIJNDQNOLBWXRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropylmethyl)-1-methyl-4-(6-methylpyridazin-3-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-(cyclopropylmethyl)-1-methyl-4-(6-methylpyridazin-3-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-(cyclopropylmethyl)-1-methyl-4-(6-methylpyridazin-3-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.8746481
• LogD (pH = 7.4): -0.089970365
• Log P: 0.7534092
• Molar Refractivity: 100.7009 cm^3
• Polarizability: 37.78029 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.36
• LOG S: -2.87
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3