2,3-diaminobenzohydrazide

C7H10N4O — CID 54556928

IUPAC2,3-diaminobenzohydrazide
SMILESNNC(=O)c1cccc(N)c1N
InChIInChI=1S/C7H10N4O/c8-5-3-1-2-4(6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
InChIKeyZNUYUOWKOJYCEJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.55
Rot. Bonds1

About 2,3-diaminobenzohydrazide

2,3-diaminobenzohydrazide (PubChem CID 54556928) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,3-diaminobenzohydrazide.

Molecular Properties

Compound Name2,3-diaminobenzohydrazide
PubChem CID54556928
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2,3-diaminobenzohydrazide
SMILESNNC(=O)c1cccc(N)c1N
InChIInChI=1S/C7H10N4O/c8-5-3-1-2-4(6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
InChIKeyZNUYUOWKOJYCEJ-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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Related Compounds

1-(2,3-diaminophenyl)propan-1-one
CID 14773132
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2,3-diamino-N-hexadecylbenzamide
CID 68850287
amino 2,3-diaminobenzoate
CID 66872276
2,3-diamino-N-(2-chlorophenyl)benzamide
CID 175375974
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
2,3-diamino-N,N-bis(4-amino-2-methylbutan-2-yl)benzamide
CID 70385195
1-(2,3-diaminophenyl)octadecan-1-one
CID 68839218
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
2-chloro-3-hydroxybenzohydrazide
CID 59092296
2,3-dimethylbenzohydrazide
CID 16790549

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminobenzohydrazide?
The IUPAC name of 2,3-diaminobenzohydrazide (CID 54556928) is 2,3-diaminobenzohydrazide.
What is the SMILES notation for 2,3-diaminobenzohydrazide?
The canonical SMILES for 2,3-diaminobenzohydrazide is NNC(=O)c1cccc(N)c1N.
What is the InChIKey of 2,3-diaminobenzohydrazide?
The InChIKey is ZNUYUOWKOJYCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-5-3-1-2-4(6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12).
What are the key properties of 2,3-diaminobenzohydrazide?
2,3-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 2,3-diaminobenzohydrazide is sourced from PubChem (CID 54556928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).