4-(hydrazinecarbonyl)-N-iminobenzamide

C8H8N4O2 — CID 121440932

IUPAC4-(hydrazinecarbonyl)-N-iminobenzamide
SMILES[H]/N=N/C(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C8H8N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4,9H,10H2,(H,12,14)/b11-9+
InChIKeyWAQOZPNVWSBHEU-PKNBQFBNSA-N
MW192.18 g/mol
LogP0.46
Rot. Bonds2

About 4-(hydrazinecarbonyl)-N-iminobenzamide

4-(hydrazinecarbonyl)-N-iminobenzamide (PubChem CID 121440932) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)-N-iminobenzamide.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)-N-iminobenzamide
PubChem CID121440932
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-(hydrazinecarbonyl)-N-iminobenzamide
SMILES[H]/N=N/C(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C8H8N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4,9H,10H2,(H,12,14)/b11-9+
InChIKeyWAQOZPNVWSBHEU-PKNBQFBNSA-N
XLogP0.46
TPSA108.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-diazenylpropanoyl)benzohydrazide
CID 91084918
4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
CID 88534888
4-fluorobenzohydrazide
CID 9972
ethane;4-methylbenzohydrazide
CID 143952809
benzohydrazide;molybdenum
CID 162076561
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
4-((18F)fluoromethyl)(18F)benzohydrazide
CID 10080752
[4-(hydrazinecarbonyl)anilino]urea
CID 70606612
4-isothiocyanatobenzohydrazide
CID 119085810
[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide
CID 171634573
4-methylsulfonylbenzohydrazide
CID 11042107
benzohydrazide;propane
CID 90709051

Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinecarbonyl)-N-iminobenzamide?
The IUPAC name of 4-(hydrazinecarbonyl)-N-iminobenzamide (CID 121440932) is 4-(hydrazinecarbonyl)-N-iminobenzamide.
What is the SMILES notation for 4-(hydrazinecarbonyl)-N-iminobenzamide?
The canonical SMILES for 4-(hydrazinecarbonyl)-N-iminobenzamide is [H]/N=N/C(=O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-(hydrazinecarbonyl)-N-iminobenzamide?
The InChIKey is WAQOZPNVWSBHEU-PKNBQFBNSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4,9H,10H2,(H,12,14)/b11-9+.
What are the key properties of 4-(hydrazinecarbonyl)-N-iminobenzamide?
4-(hydrazinecarbonyl)-N-iminobenzamide has a molecular weight of 192.18 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)-N-iminobenzamide is sourced from PubChem (CID 121440932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).