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

• ChemBase ID: 236064
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c12ncnn1CCCC2N
• Canonical SMILES: NC1CCCn2c1ncn2
• InChI: InChI=1S/C6H10N4/c7-5-2-1-3-10-6(5)8-4-9-10/h4-5H,1-3,7H2
• InChIKey: NWSSXLAQFDGEDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13176269
• PubChem SID: 164291974
• PubChem CID: 15061998

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.036967
• LogD (pH = 7.4): -1.3727565
• Log P: -0.46872512
• Molar Refractivity: 49.2222 cm^3
• Polarizability: 14.347483 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.317

Product Information

• Purity: 95%