4-cyclopropyl-6-hydrazinyl-1,3,5-triazin-2-amine

• ChemBase ID: 84460
• Molecular Formular: C6H10N6
• Molecular Mass: 166.1838
• Monoisotopic Mass: 166.09669435
• SMILES: n1c(nc(nc1NN)N)C1CC1
• Canonical SMILES: NNc1nc(N)nc(n1)C1CC1
• InChI: InChI=1S/C6H10N6/c7-5-9-4(3-1-2-3)10-6(11-5)12-8/h3H,1-2,8H2,(H3,7,9,10,11,12)
• InChIKey: KUUQVVNKTZWOTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-6-hydrazinyl-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4-cyclopropyl-6-hydrazinyl-1,3,5-triazin-2-amine
• Synonyms: 4-cyclopropyl-6-hydrazino-1,3,5-triazin-2-amine

Database IDs

• CAS Number: 175204-76-9
• MDL Number: MFCD00052757
• PubChem SID: 162071576
• PubChem CID: 2782109

CALCULATED PROPERTIES

• Acid pKa: 14.9878
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -1.1368108
• LogD (pH = 7.4): 0.14132579
• Log P: 0.8360907
• Molar Refractivity: 48.8443 cm^3
• Polarizability: 16.12736 Å^3
• Polar Surface Area: 102.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true