3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-8-amine

• ChemBase ID: 235082
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: c12n(c(nn1)C)CCCC2N
• Canonical SMILES: NC1CCCn2c1nnc2C
• InChI: InChI=1S/C7H12N4/c1-5-9-10-7-6(8)3-2-4-11(5)7/h6H,2-4,8H2,1H3
• InChIKey: YRQUFBNVMMTCEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-8-amine
• IUPAC Traditional name: 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-8-amine
• Synonyms: 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-8-amine

Database IDs

• MDL Number: MFCD22196375
• PubChem SID: 164290992
• PubChem CID: 71755432

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5176005
• LogD (pH = 7.4): -1.8554873
• Log P: -0.94224644
• Molar Refractivity: 43.6531 cm^3
• Polarizability: 16.115664 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.386

Product Information

• Purity: 95%