Isophthalic dihydrazide
C₈H₁₀N₄O₂·194.190 g/mol·CID 72700
IUPAC: benzene-1,3-dicarbohydrazide
Also known as: 2760-98-7, Isophthalohydrazide, Isophthalyl dihydrazide, Isophthalic acid dihydrazide, 1,3-Benzenedicarboxylic acid, dihydrazide (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
194.190g/mol
Exact Mass
194.080376Da
Monoisotopic Mass
194.080376Da
XLogP
-0.9
Polar Surface Area
110.0Ų
Complexity
209
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
14
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 194.2 g/mol
MW ≤ 500
✓ -0.9
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C8H10N4O2/c9-11-7(13)5-2-1-3-6(4-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,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
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
2,4-dicyano-3-methylpentanediamide
CID 95498 · 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