2-[(3-methylphenyl)diazenyl]propanedinitrile

C10H8N4 — CID 19497

IUPAC2-[(3-methylphenyl)diazenyl]propanedinitrile
SMILESCc1cccc(/N=N/C(C#N)C#N)c1
InChIInChI=1S/C10H8N4/c1-8-3-2-4-9(5-8)13-14-10(6-11)7-12/h2-5,10H,1H3/b14-13+
InChIKeyRBXINBFALYDCDW-BUHFOSPRSA-N
MW184.20 g/mol
LogP2.49
Rot. Bonds2

About 2-[(3-methylphenyl)diazenyl]propanedinitrile

2-[(3-methylphenyl)diazenyl]propanedinitrile (PubChem CID 19497) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[(3-methylphenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(3-methylphenyl)diazenyl]propanedinitrile
PubChem CID19497
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-[(3-methylphenyl)diazenyl]propanedinitrile
SMILESCc1cccc(/N=N/C(C#N)C#N)c1
InChIInChI=1S/C10H8N4/c1-8-3-2-4-9(5-8)13-14-10(6-11)7-12/h2-5,10H,1H3/b14-13+
InChIKeyRBXINBFALYDCDW-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'}

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Related Compounds

3,3-Dimethyl-1-(4-methylphenyl)-1-triazene
CID 81618
3-(Ethyl(3-methylphenyl)amino)propanenitrile
CID 67363
2-(2-Phenyldiazenyl)propanedinitrile
CID 22347
3-Aminobenzylamine
CID 4628831
(o-Tolylazo)malononitrile
CID 21605
(3-Amino-phenyl)-acetonitrile
CID 4847850
3,3-Dimethyl-1-(3-methylphenyl)-1-triazene
CID 88424
4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile
CID 90107
(p-Tolylazo)malononitrile
CID 21604
3,3-Dimethyl-1-(o-tolyl)triazene
CID 88423
1,5-Di-p-tolyl-3-methyl-1,4-pentazadiene
CID 267191
1-Azido-3-methylbenzene
CID 138119

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(3-methylphenyl)diazenyl]propanedinitrile (CID 19497) is 2-[(3-methylphenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(3-methylphenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(3-methylphenyl)diazenyl]propanedinitrile is Cc1cccc(/N=N/C(C#N)C#N)c1.
What is the InChIKey of 2-[(3-methylphenyl)diazenyl]propanedinitrile?
The InChIKey is RBXINBFALYDCDW-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H8N4/c1-8-3-2-4-9(5-8)13-14-10(6-11)7-12/h2-5,10H,1H3/b14-13+.
What are the key properties of 2-[(3-methylphenyl)diazenyl]propanedinitrile?
2-[(3-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-[(3-methylphenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 19497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).