4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide

C14H14N6O2 — CID 88534888

IUPAC4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
SMILESNNC(=O)c1ccc(/N=N/c2ccc(C(=O)NN)cc2)cc1
InChIInChI=1S/C14H14N6O2/c15-17-13(21)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(22)18-16/h1-8H,15-16H2,(H,17,21)(H,18,22)/b20-19+
InChIKeySFZJWEBXBLTZJX-FMQUCBEESA-N
MW298.31 g/mol
LogP1.31
Rot. Bonds4

About 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide

4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide (PubChem CID 88534888) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide.

Molecular Properties

Compound Name4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
PubChem CID88534888
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
SMILESNNC(=O)c1ccc(/N=N/c2ccc(C(=O)NN)cc2)cc1
InChIInChI=1S/C14H14N6O2/c15-17-13(21)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(22)18-16/h1-8H,15-16H2,(H,17,21)(H,18,22)/b20-19+
InChIKeySFZJWEBXBLTZJX-FMQUCBEESA-N
XLogP1.31
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-isothiocyanatobenzohydrazide
CID 119085810
4-fluorobenzohydrazide
CID 9972
ethane;4-methylbenzohydrazide
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4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
benzohydrazide;molybdenum
CID 162076561
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
4-((18F)fluoromethyl)(18F)benzohydrazide
CID 10080752
methyl (2S)-2-[[4-[[4-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoate
CID 122226545
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
4-(hydrazinecarbonyl)-N-iminobenzamide
CID 121440932
4-methylsulfonylbenzohydrazide
CID 11042107
6-oxopyran-3-carbohydrazide
CID 130710971

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide?
The IUPAC name of 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide (CID 88534888) is 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide.
What is the SMILES notation for 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide?
The canonical SMILES for 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide is NNC(=O)c1ccc(/N=N/c2ccc(C(=O)NN)cc2)cc1.
What is the InChIKey of 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide?
The InChIKey is SFZJWEBXBLTZJX-FMQUCBEESA-N. The full InChI is InChI=1S/C14H14N6O2/c15-17-13(21)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(22)18-16/h1-8H,15-16H2,(H,17,21)(H,18,22)/b20-19+.
What are the key properties of 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide?
4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide has a molecular weight of 298.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide is sourced from PubChem (CID 88534888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).