2-N,2-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4,6-triamine

• ChemBase ID: 108780
• Molecular Formular: C9H14N6
• Molecular Mass: 206.24766
• Monoisotopic Mass: 206.12799448
• SMILES: Nc1nc(N)nc(n1)N(CC=C)CC=C
• Canonical SMILES: C=CCN(c1nc(N)nc(n1)N)CC=C
• InChI: InChI=1S/C9H14N6/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2,(H4,10,11,12,13,14)
• InChIKey: ROHTVIURAJBDES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4,6-triamine
• IUPAC Traditional name: 2-N,2-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4,6-triamine
• Synonyms: N,N-DIALLYLMELAMINE

Database IDs

• PubChem SID: 162106192
• PubChem CID: 66682

CALCULATED PROPERTIES

• Acid pKa: 15.833148
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.0755549
• LogD (pH = 7.4): 1.0073051
• Log P: 1.8047817
• Molar Refractivity: 64.5144 cm^3
• Polarizability: 21.638031 Å^3
• Polar Surface Area: 93.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208685

MP Biomedicals Rare Chemical collection