7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

• ChemBase ID: 276153
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: n1c2n(nc1N)ccc(c2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(n2)N
• InChI: InChI=1S/C7H8N4/c1-5-2-3-11-6(4-5)9-7(8)10-11/h2-4H,1H3,(H2,8,10)
• InChIKey: CEQWEPOIYVRHLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11846604
• PubChem SID: 164332063
• PubChem CID: 54594028

CALCULATED PROPERTIES

• Acid pKa: 15.365952
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5266912
• LogD (pH = 7.4): 1.5280709
• Log P: 1.5280886
• Molar Refractivity: 54.4393 cm^3
• Polarizability: 15.297736 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.706

Product Information

• Purity: 95%