1-methyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide

• ChemBase ID: 488107
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: n1c(C(=O)NCC2(Cn3c(ncc3)C)CC2)ccc(=O)n1C
• Canonical SMILES: O=C(c1ccc(=O)n(n1)C)NCC1(CC1)Cn1ccnc1C
• InChI: InChI=1S/C15H19N5O2/c1-11-16-7-8-20(11)10-15(5-6-15)9-17-14(22)12-3-4-13(21)19(2)18-12/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,17,22)
• InChIKey: QXVJAPXLOSWYJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
• IUPAC Traditional name: 1-methyl-N-({1-[(2-methylimidazol-1-yl)methyl]cyclopropyl}methyl)-6-oxopyridazine-3-carboxamide
• Synonyms: 1-methyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.774235
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1113468
• LogD (pH = 7.4): -0.3423515
• Log P: -0.09899333
• Molar Refractivity: 82.0516 cm^3
• Polarizability: 30.653067 Å^3
• Polar Surface Area: 79.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.25
• LOG S: -1.64
• Polar Surface Area: 81.81 Å^2
• Rotatable Bonds: 5