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

• ChemBase ID: 271381
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: n12c(ncn1)CCC(C2)N
• Canonical SMILES: NC1CCc2n(C1)ncn2
• InChI: InChI=1S/C6H10N4/c7-5-1-2-6-8-4-9-10(6)3-5/h4-5H,1-3,7H2
• InChIKey: QRBDWPKFCJDWFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838661
• PubChem SID: 164327291
• PubChem CID: 54592620

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6877415
• LogD (pH = 7.4): -3.0544143
• Log P: -0.67256284
• Molar Refractivity: 49.0915 cm^3
• Polarizability: 14.272648 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.144

Product Information

• Purity: 95%