2-(methyldiazenyl)propanenitrile

C4H7N3 — CID 90739677

IUPAC2-(methyldiazenyl)propanenitrile
SMILESC/N=N/C(C)C#N
InChIInChI=1S/C4H7N3/c1-4(3-5)7-6-2/h4H,1-2H3/b7-6+
InChIKeyHQNZQBPKEQFJOC-VOTSOKGWSA-N
MW97.12 g/mol
LogP0.98
Rot. Bonds1

About 2-(methyldiazenyl)propanenitrile

2-(methyldiazenyl)propanenitrile (PubChem CID 90739677) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-(methyldiazenyl)propanenitrile.

Molecular Properties

Compound Name2-(methyldiazenyl)propanenitrile
PubChem CID90739677
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name2-(methyldiazenyl)propanenitrile
SMILESC/N=N/C(C)C#N
InChIInChI=1S/C4H7N3/c1-4(3-5)7-6-2/h4H,1-2H3/b7-6+
InChIKeyHQNZQBPKEQFJOC-VOTSOKGWSA-N
XLogP0.98
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(methyldiazenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methyldiazenyl)propanenitrile?
The IUPAC name of 2-(methyldiazenyl)propanenitrile (CID 90739677) is 2-(methyldiazenyl)propanenitrile.
What is the SMILES notation for 2-(methyldiazenyl)propanenitrile?
The canonical SMILES for 2-(methyldiazenyl)propanenitrile is C/N=N/C(C)C#N.
What is the InChIKey of 2-(methyldiazenyl)propanenitrile?
The InChIKey is HQNZQBPKEQFJOC-VOTSOKGWSA-N. The full InChI is InChI=1S/C4H7N3/c1-4(3-5)7-6-2/h4H,1-2H3/b7-6+.
What are the key properties of 2-(methyldiazenyl)propanenitrile?
2-(methyldiazenyl)propanenitrile has a molecular weight of 97.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyldiazenyl)propanenitrile is sourced from PubChem (CID 90739677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).