3-diazenylbenzonitrile

C7H5N3 — CID 54274843

IUPAC3-diazenylbenzonitrile
SMILES[H]/N=N/c1cccc(C#N)c1
InChIInChI=1S/C7H5N3/c8-5-6-2-1-3-7(4-6)10-9/h1-4,9H/b10-9+
InChIKeySUZBYOASFGBMTG-MDZDMXLPSA-N
MW131.14 g/mol
LogP2.22
Rot. Bonds1

About 3-diazenylbenzonitrile

3-diazenylbenzonitrile (PubChem CID 54274843) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 3-diazenylbenzonitrile.

Molecular Properties

Compound Name3-diazenylbenzonitrile
PubChem CID54274843
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name3-diazenylbenzonitrile
SMILES[H]/N=N/c1cccc(C#N)c1
InChIInChI=1S/C7H5N3/c8-5-6-2-1-3-7(4-6)10-9/h1-4,9H/b10-9+
InChIKeySUZBYOASFGBMTG-MDZDMXLPSA-N
XLogP2.22
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-isocyanatobenzonitrile
CID 2733315
3-[2-(3-cyanophenyl)ethynyl]benzonitrile
CID 12022275
2-chloro-N'-(3-cyanophenyl)ethanimidamide
CID 151835289
3-[(4-fluorophenyl)methylideneamino]benzonitrile
CID 932015
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 721960
3-(1H-pyrrol-2-ylmethylideneamino)benzonitrile
CID 135604777
3-diazenyl-4-(prop-2-enylamino)benzonitrile
CID 146594068
3-cyano-N'-methanimidoylbenzenecarboximidamide
CID 123454205
3-[(3-fluoroanilino)diazenyl]benzonitrile
CID 12897020
(4-diazenyl-2-methylphenyl)-(3-methylphenyl)diazene
CID 91451182
3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
CID 11243141
3-fluorobenzonitrile;hydrochloride
CID 140590350

Frequently Asked Questions

What is the IUPAC name of 3-diazenylbenzonitrile?
The IUPAC name of 3-diazenylbenzonitrile (CID 54274843) is 3-diazenylbenzonitrile.
What is the SMILES notation for 3-diazenylbenzonitrile?
The canonical SMILES for 3-diazenylbenzonitrile is [H]/N=N/c1cccc(C#N)c1.
What is the InChIKey of 3-diazenylbenzonitrile?
The InChIKey is SUZBYOASFGBMTG-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H5N3/c8-5-6-2-1-3-7(4-6)10-9/h1-4,9H/b10-9+.
What are the key properties of 3-diazenylbenzonitrile?
3-diazenylbenzonitrile has a molecular weight of 131.14 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenylbenzonitrile is sourced from PubChem (CID 54274843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).