2,4-Dicyano-3-methylglutaramide
C₈H₁₀N₄O₂·194.190 g/mol·CID 95498
IUPAC: 2,4-dicyano-3-methylpentanediamide
Also known as: RefChem:443506, 226-665-9, 5447-66-5, 2,4-dicyano-3-methylpentanediamide, Pentanediamide, 2,4-dicyano-3-methyl- (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
194.190g/mol
Exact Mass
194.080376Da
Monoisotopic Mass
194.080376Da
XLogP
-1.3
Polar Surface Area
134.0Ų
Complexity
311
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
14
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 194.2 g/mol
MW ≤ 500
✓ -1.3
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH311Toxic in contact with skinH331Toxic if inhaled
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C8H10N4O2/c1-4(5(2-9)7(11)13)6(3-10)8(12)14/h4-6H,1H3,(H2,11,13)(H2,12,14)
Isomers8 compounds with formula C₈H₁₀N₄O₂
1,3,7-trimethylpurine-2,6-dione
CID 2519 · 194.2 g/mol
3-propyl-7H-purine-2,6-dione
CID 1676 · 194.2 g/mol
benzene-1,3-dicarbohydrazide
CID 72700 · 194.2 g/mol
N-methyl-N-[(4-nitrophenyl)diazenyl]methanamine
CID 81648 · 194.2 g/mol
1,3,9-trimethylpurine-2,6-dione
CID 1326 · 194.2 g/mol
1,3,8-trimethyl-7H-purine-2,6-dione
CID 95030 · 194.2 g/mol
N-methyl-N-[(3-nitrophenyl)diazenyl]methanamine
CID 88426 · 194.2 g/mol
benzene-1,4-dicarbohydrazide
CID 67294 · 194.2 g/mol