(cyclopropylmethyl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine

• ChemBase ID: 268231
• Molecular Formular: C11H14N4
• Molecular Mass: 202.25566
• Monoisotopic Mass: 202.12184647
• SMILES: n12c(nnc1cccc2)CNCC1CC1
• Canonical SMILES: N(Cc1nnc2n1cccc2)CC1CC1
• InChI: InChI=1S/C11H14N4/c1-2-6-15-10(3-1)13-14-11(15)8-12-7-9-4-5-9/h1-3,6,9,12H,4-5,7-8H2
• InChIKey: MVZYGPYOXFHKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine
• IUPAC Traditional name: (cyclopropylmethyl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine
• Synonyms: (cyclopropylmethyl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine

Database IDs

• MDL Number: MFCD12109200
• PubChem SID: 164324141
• PubChem CID: 43654935

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4009233
• LogD (pH = 7.4): -0.6745074
• Log P: 0.21119031
• Molar Refractivity: 60.6696 cm^3
• Polarizability: 22.407204 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.651

Product Information

• Purity: 95%