3,4-diaminobenzohydrazide

C7H10N4O — CID 4530104

IUPAC3,4-diaminobenzohydrazide
SMILESNNC(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
InChIKeyYGCXQTYRSKMILM-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.55
Rot. Bonds1

About 3,4-diaminobenzohydrazide

3,4-diaminobenzohydrazide (PubChem CID 4530104) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 3,4-diaminobenzohydrazide.

Molecular Properties

Compound Name3,4-diaminobenzohydrazide
PubChem CID4530104
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name3,4-diaminobenzohydrazide
SMILESNNC(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
InChIKeyYGCXQTYRSKMILM-UHFFFAOYSA-N
XLogP-0.55
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diaminobenzohydrazide?
The IUPAC name of 3,4-diaminobenzohydrazide (CID 4530104) is 3,4-diaminobenzohydrazide.
What is the SMILES notation for 3,4-diaminobenzohydrazide?
The canonical SMILES for 3,4-diaminobenzohydrazide is NNC(=O)c1ccc(N)c(N)c1.
What is the InChIKey of 3,4-diaminobenzohydrazide?
The InChIKey is YGCXQTYRSKMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12).
What are the key properties of 3,4-diaminobenzohydrazide?
3,4-diaminobenzohydrazide has a molecular weight of 166.18 g/mol, XLogP of -0.55, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminobenzohydrazide is sourced from PubChem (CID 4530104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).