2-[(4-methylphenyl)diazenyl]propanedinitrile

C10H8N4 — CID 21604

IUPAC2-[(4-methylphenyl)diazenyl]propanedinitrile
SMILESCc1ccc(/N=N/C(C#N)C#N)cc1
InChIInChI=1S/C10H8N4/c1-8-2-4-9(5-3-8)13-14-10(6-11)7-12/h2-5,10H,1H3/b14-13+
InChIKeyPVMNLJXFLNGWDN-BUHFOSPRSA-N
MW184.20 g/mol
LogP2.49
Rot. Bonds2

About 2-[(4-methylphenyl)diazenyl]propanedinitrile

2-[(4-methylphenyl)diazenyl]propanedinitrile (PubChem CID 21604) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[(4-methylphenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-methylphenyl)diazenyl]propanedinitrile
PubChem CID21604
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-[(4-methylphenyl)diazenyl]propanedinitrile
SMILESCc1ccc(/N=N/C(C#N)C#N)cc1
InChIInChI=1S/C10H8N4/c1-8-2-4-9(5-3-8)13-14-10(6-11)7-12/h2-5,10H,1H3/b14-13+
InChIKeyPVMNLJXFLNGWDN-BUHFOSPRSA-N
XLogP2.49
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-methylphenyl)diazenyl]propanedinitrile 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-[(4-methylphenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(4-methylphenyl)diazenyl]propanedinitrile (CID 21604) is 2-[(4-methylphenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(4-methylphenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(4-methylphenyl)diazenyl]propanedinitrile is Cc1ccc(/N=N/C(C#N)C#N)cc1.
What is the InChIKey of 2-[(4-methylphenyl)diazenyl]propanedinitrile?
The InChIKey is PVMNLJXFLNGWDN-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H8N4/c1-8-2-4-9(5-3-8)13-14-10(6-11)7-12/h2-5,10H,1H3/b14-13+.
What are the key properties of 2-[(4-methylphenyl)diazenyl]propanedinitrile?
2-[(4-methylphenyl)diazenyl]propanedinitrile has a molecular weight of 184.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 21604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).