4-methyl-3-(2-methylhydrazinyl)benzonitrile

C9H11N3 — CID 143275745

IUPAC4-methyl-3-(2-methylhydrazinyl)benzonitrile
SMILESCNNc1cc(C#N)ccc1C
InChIInChI=1S/C9H11N3/c1-7-3-4-8(6-10)5-9(7)12-11-2/h3-5,11-12H,1-2H3
InChIKeyJGSGEZMTNYGYRF-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.41
Rot. Bonds2

About 4-methyl-3-(2-methylhydrazinyl)benzonitrile

4-methyl-3-(2-methylhydrazinyl)benzonitrile (PubChem CID 143275745) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4-methyl-3-(2-methylhydrazinyl)benzonitrile.

Molecular Properties

Compound Name4-methyl-3-(2-methylhydrazinyl)benzonitrile
PubChem CID143275745
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4-methyl-3-(2-methylhydrazinyl)benzonitrile
SMILESCNNc1cc(C#N)ccc1C
InChIInChI=1S/C9H11N3/c1-7-3-4-8(6-10)5-9(7)12-11-2/h3-5,11-12H,1-2H3
InChIKeyJGSGEZMTNYGYRF-UHFFFAOYSA-N
XLogP1.41
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-4-methylbenzonitrile
CID 62105760
3-methyl-4-(methylamino)benzonitrile
CID 23343732
4-amino-3-methylbenzonitrile
CID 7010316
3-(2,6-dimethylheptan-4-ylamino)-4-methylbenzonitrile
CID 63477609
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
3-(2-amino-5-bromoanilino)-4-methylbenzonitrile
CID 65342835
4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
CID 63477258
4-methylbenzene-1,3-dicarbonitrile
CID 10080505
4-methyl-3-(2-phenylethylamino)benzonitrile
CID 62103349
3-[(3-aminocyclobutyl)amino]-4-methylbenzonitrile
CID 80562351
methyl 2-(5-cyano-2-methylanilino)-2-oxoacetate
CID 112617117
4-amino-3-(2,5-dimethylanilino)benzonitrile
CID 104711457

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylhydrazinyl)benzonitrile?
The IUPAC name of 4-methyl-3-(2-methylhydrazinyl)benzonitrile (CID 143275745) is 4-methyl-3-(2-methylhydrazinyl)benzonitrile.
What is the SMILES notation for 4-methyl-3-(2-methylhydrazinyl)benzonitrile?
The canonical SMILES for 4-methyl-3-(2-methylhydrazinyl)benzonitrile is CNNc1cc(C#N)ccc1C.
What is the InChIKey of 4-methyl-3-(2-methylhydrazinyl)benzonitrile?
The InChIKey is JGSGEZMTNYGYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7-3-4-8(6-10)5-9(7)12-11-2/h3-5,11-12H,1-2H3.
What are the key properties of 4-methyl-3-(2-methylhydrazinyl)benzonitrile?
4-methyl-3-(2-methylhydrazinyl)benzonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylhydrazinyl)benzonitrile is sourced from PubChem (CID 143275745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).