4-hydrazinyl-2-methylbenzonitrile;hydrochloride

C8H10ClN3 — CID 46915033

IUPAC4-hydrazinyl-2-methylbenzonitrile;hydrochloride
SMILESCc1cc(NN)ccc1C#N.Cl
InChIInChI=1S/C8H9N3.ClH/c1-6-4-8(11-10)3-2-7(6)5-9;/h2-4,11H,10H2,1H3;1H
InChIKeyQTARJVCCKKNVIB-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.57
Rot. Bonds1

About 4-hydrazinyl-2-methylbenzonitrile;hydrochloride

4-hydrazinyl-2-methylbenzonitrile;hydrochloride (PubChem CID 46915033) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-hydrazinyl-2-methylbenzonitrile;hydrochloride.

Molecular Properties

Compound Name4-hydrazinyl-2-methylbenzonitrile;hydrochloride
PubChem CID46915033
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name4-hydrazinyl-2-methylbenzonitrile;hydrochloride
SMILESCc1cc(NN)ccc1C#N.Cl
InChIInChI=1S/C8H9N3.ClH/c1-6-4-8(11-10)3-2-7(6)5-9;/h2-4,11H,10H2,1H3;1H
InChIKeyQTARJVCCKKNVIB-UHFFFAOYSA-N
XLogP1.57
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorohydrazinyl)-2-methylbenzonitrile
CID 22118357
4-[(2-amino-2-methylpropyl)amino]-2-methylbenzonitrile
CID 115303800
4-(4-chloroanilino)-2-methylbenzonitrile
CID 81277228
O-methyl N-(4-cyano-3-methylphenyl)carbamothioate
CID 145054774
4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylbenzonitrile
CID 81279647
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
2-methyl-4-[(2-methylcyclopropyl)amino]benzonitrile
CID 81278621
2-methyl-4-(2-methylbutan-2-ylamino)benzonitrile
CID 81277441
(4-fluoro-3-methylphenyl)hydrazine;hydrochloride
CID 18355387
CID 163827776
CID 163827776
2-methyl-4-(2,4,5-trichloroanilino)benzonitrile
CID 81278130
4-(benzylamino)-2-methylbenzonitrile
CID 81272992

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methylbenzonitrile;hydrochloride?
The IUPAC name of 4-hydrazinyl-2-methylbenzonitrile;hydrochloride (CID 46915033) is 4-hydrazinyl-2-methylbenzonitrile;hydrochloride.
What is the SMILES notation for 4-hydrazinyl-2-methylbenzonitrile;hydrochloride?
The canonical SMILES for 4-hydrazinyl-2-methylbenzonitrile;hydrochloride is Cc1cc(NN)ccc1C#N.Cl.
What is the InChIKey of 4-hydrazinyl-2-methylbenzonitrile;hydrochloride?
The InChIKey is QTARJVCCKKNVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.ClH/c1-6-4-8(11-10)3-2-7(6)5-9;/h2-4,11H,10H2,1H3;1H.
What are the key properties of 4-hydrazinyl-2-methylbenzonitrile;hydrochloride?
4-hydrazinyl-2-methylbenzonitrile;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methylbenzonitrile;hydrochloride is sourced from PubChem (CID 46915033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).