2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile

C10H13N3 — CID 107927736

IUPAC2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
SMILESCc1ccc(NN(C)C)c(C#N)c1
InChIInChI=1S/C10H13N3/c1-8-4-5-10(12-13(2)3)9(6-8)7-11/h4-6,12H,1-3H3
InChIKeySZZSWACUBYGLRR-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.76
Rot. Bonds2

About 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile

2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile (PubChem CID 107927736) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
PubChem CID107927736
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
SMILESCc1ccc(NN(C)C)c(C#N)c1
InChIInChI=1S/C10H13N3/c1-8-4-5-10(12-13(2)3)9(6-8)7-11/h4-6,12H,1-3H3
InChIKeySZZSWACUBYGLRR-UHFFFAOYSA-N
XLogP1.76
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile
CID 107927307
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(3-hydroxypropylamino)-5-methylbenzonitrile
CID 107927398
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
5-methyl-2-(pentan-3-ylamino)benzonitrile
CID 107926818
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
2-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 107931244
2-[3-(diethylamino)propylamino]-5-methylbenzonitrile
CID 107926933
5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
CID 107926997
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
5-methyl-2-[(4-methylpiperazin-1-yl)amino]benzonitrile
CID 107927739

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile (CID 107927736) is 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile is Cc1ccc(NN(C)C)c(C#N)c1.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile?
The InChIKey is SZZSWACUBYGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-4-5-10(12-13(2)3)9(6-8)7-11/h4-6,12H,1-3H3.
What are the key properties of 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile?
2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile is sourced from PubChem (CID 107927736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).