4-[(aminodiazenyl)methyl]benzonitrile

C8H8N4 — CID 89365702

IUPAC4-[(aminodiazenyl)methyl]benzonitrile
SMILESN#Cc1ccc(C/N=N/N)cc1
InChIInChI=1S/C8H8N4/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-4H,6H2,(H2,10,11)
InChIKeyBJSAVVAWOCRNPL-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.38
Rot. Bonds2

About 4-[(aminodiazenyl)methyl]benzonitrile

4-[(aminodiazenyl)methyl]benzonitrile (PubChem CID 89365702) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-[(aminodiazenyl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(aminodiazenyl)methyl]benzonitrile
PubChem CID89365702
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4-[(aminodiazenyl)methyl]benzonitrile
SMILESN#Cc1ccc(C/N=N/N)cc1
InChIInChI=1S/C8H8N4/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-4H,6H2,(H2,10,11)
InChIKeyBJSAVVAWOCRNPL-UHFFFAOYSA-N
XLogP1.38
TPSA74.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.38
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'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(aminodiazenyl)methyl]benzonitrile?
The IUPAC name of 4-[(aminodiazenyl)methyl]benzonitrile (CID 89365702) is 4-[(aminodiazenyl)methyl]benzonitrile.
What is the SMILES notation for 4-[(aminodiazenyl)methyl]benzonitrile?
The canonical SMILES for 4-[(aminodiazenyl)methyl]benzonitrile is N#Cc1ccc(C/N=N/N)cc1.
What is the InChIKey of 4-[(aminodiazenyl)methyl]benzonitrile?
The InChIKey is BJSAVVAWOCRNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-4H,6H2,(H2,10,11).
What are the key properties of 4-[(aminodiazenyl)methyl]benzonitrile?
4-[(aminodiazenyl)methyl]benzonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(aminodiazenyl)methyl]benzonitrile is sourced from PubChem (CID 89365702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).