4-(3-diazenylpropanoyl)benzohydrazide

C10H12N4O2 — CID 91084918

IUPAC4-(3-diazenylpropanoyl)benzohydrazide
SMILES[H]/N=N/CCC(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C10H12N4O2/c11-13-6-5-9(15)7-1-3-8(4-2-7)10(16)14-12/h1-4,11H,5-6,12H2,(H,14,16)/b13-11+
InChIKeyZRNZIXAONTYOIJ-ACCUITESSA-N
MW220.23 g/mol
LogP0.89
Rot. Bonds5

About 4-(3-diazenylpropanoyl)benzohydrazide

4-(3-diazenylpropanoyl)benzohydrazide (PubChem CID 91084918) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(3-diazenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name4-(3-diazenylpropanoyl)benzohydrazide
PubChem CID91084918
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-(3-diazenylpropanoyl)benzohydrazide
SMILES[H]/N=N/CCC(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C10H12N4O2/c11-13-6-5-9(15)7-1-3-8(4-2-7)10(16)14-12/h1-4,11H,5-6,12H2,(H,14,16)/b13-11+
InChIKeyZRNZIXAONTYOIJ-ACCUITESSA-N
XLogP0.89
TPSA108.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
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ethane;4-methylbenzohydrazide
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benzohydrazide;molybdenum
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4-tert-butylbenzohydrazide;hydrochloride
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4-((18F)fluoromethyl)(18F)benzohydrazide
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4-nitrobenzohydrazide;hydrochloride
CID 172718286
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Frequently Asked Questions

What is the IUPAC name of 4-(3-diazenylpropanoyl)benzohydrazide?
The IUPAC name of 4-(3-diazenylpropanoyl)benzohydrazide (CID 91084918) is 4-(3-diazenylpropanoyl)benzohydrazide.
What is the SMILES notation for 4-(3-diazenylpropanoyl)benzohydrazide?
The canonical SMILES for 4-(3-diazenylpropanoyl)benzohydrazide is [H]/N=N/CCC(=O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-(3-diazenylpropanoyl)benzohydrazide?
The InChIKey is ZRNZIXAONTYOIJ-ACCUITESSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-13-6-5-9(15)7-1-3-8(4-2-7)10(16)14-12/h1-4,11H,5-6,12H2,(H,14,16)/b13-11+.
What are the key properties of 4-(3-diazenylpropanoyl)benzohydrazide?
4-(3-diazenylpropanoyl)benzohydrazide has a molecular weight of 220.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-diazenylpropanoyl)benzohydrazide is sourced from PubChem (CID 91084918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).