3-amino-N'-(4-nitrosophenyl)benzohydrazide

C13H12N4O2 — CID 5117289

IUPAC3-amino-N'-(4-nitrosophenyl)benzohydrazide
SMILESNc1cccc(C(=O)NNc2ccc(N=O)cc2)c1
InChIInChI=1S/C13H12N4O2/c14-10-3-1-2-9(8-10)13(18)16-15-11-4-6-12(17-19)7-5-11/h1-8,15H,14H2,(H,16,18)
InChIKeyWLRPSJQBNJSGFH-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-N'-(4-nitrosophenyl)benzohydrazide

3-amino-N'-(4-nitrosophenyl)benzohydrazide (PubChem CID 5117289) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-amino-N'-(4-nitrosophenyl)benzohydrazide.

Molecular Properties

Compound Name3-amino-N'-(4-nitrosophenyl)benzohydrazide
PubChem CID5117289
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name3-amino-N'-(4-nitrosophenyl)benzohydrazide
SMILESNc1cccc(C(=O)NNc2ccc(N=O)cc2)c1
InChIInChI=1S/C13H12N4O2/c14-10-3-1-2-9(8-10)13(18)16-15-11-4-6-12(17-19)7-5-11/h1-8,15H,14H2,(H,16,18)
InChIKeyWLRPSJQBNJSGFH-UHFFFAOYSA-N
XLogP2.42
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminobenzoyl)amino]formamide
CID 142270401
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 110512312
3-amino-N'-(4-pyridin-4-ylbenzoyl)benzohydrazide
CID 143062088
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
(3-aminophenyl)-phenylmethanone
CID 17817
cesium 3-aminobenzoate
CID 134897140
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
(3-aminobenzoyl)azanium
CID 142343873
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-(4-nitrosophenyl)benzohydrazide?
The IUPAC name of 3-amino-N'-(4-nitrosophenyl)benzohydrazide (CID 5117289) is 3-amino-N'-(4-nitrosophenyl)benzohydrazide.
What is the SMILES notation for 3-amino-N'-(4-nitrosophenyl)benzohydrazide?
The canonical SMILES for 3-amino-N'-(4-nitrosophenyl)benzohydrazide is Nc1cccc(C(=O)NNc2ccc(N=O)cc2)c1.
What is the InChIKey of 3-amino-N'-(4-nitrosophenyl)benzohydrazide?
The InChIKey is WLRPSJQBNJSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-10-3-1-2-9(8-10)13(18)16-15-11-4-6-12(17-19)7-5-11/h1-8,15H,14H2,(H,16,18).
What are the key properties of 3-amino-N'-(4-nitrosophenyl)benzohydrazide?
3-amino-N'-(4-nitrosophenyl)benzohydrazide has a molecular weight of 256.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-(4-nitrosophenyl)benzohydrazide is sourced from PubChem (CID 5117289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).