4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride

C9H12ClN3 — CID 67376397

IUPAC4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride
SMILESCc1cc(C#N)cc(C)c1NN.Cl
InChIInChI=1S/C9H11N3.ClH/c1-6-3-8(5-10)4-7(2)9(6)12-11;/h3-4,12H,11H2,1-2H3;1H
InChIKeyMYSMMQQBCVHJTB-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.88
Rot. Bonds1

About 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride

4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride (PubChem CID 67376397) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride.

Molecular Properties

Compound Name4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride
PubChem CID67376397
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride
SMILESCc1cc(C#N)cc(C)c1NN.Cl
InChIInChI=1S/C9H11N3.ClH/c1-6-3-8(5-10)4-7(2)9(6)12-11;/h3-4,12H,11H2,1-2H3;1H
InChIKeyMYSMMQQBCVHJTB-UHFFFAOYSA-N
XLogP1.88
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.88
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

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3,4-dihydroxy-5-methylbenzonitrile
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3-hydrazinyl-5-methoxybenzonitrile;hydrochloride
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6-methylbenzene-1,2,4-tricarbonitrile
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4-(bromomethyl)-3,5-dimethylbenzonitrile
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4-hydrazinyl-2-methylbenzonitrile;hydrochloride
CID 46915033
3-(1-aminoethyl)-4,5-dimethylbenzonitrile
CID 117277134
3-amino-4-methyl-2,1-benzothiazole-6-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride?
The IUPAC name of 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride (CID 67376397) is 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride.
What is the SMILES notation for 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride?
The canonical SMILES for 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride is Cc1cc(C#N)cc(C)c1NN.Cl.
What is the InChIKey of 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride?
The InChIKey is MYSMMQQBCVHJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.ClH/c1-6-3-8(5-10)4-7(2)9(6)12-11;/h3-4,12H,11H2,1-2H3;1H.
What are the key properties of 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride?
4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3,5-dimethylbenzonitrile;hydrochloride is sourced from PubChem (CID 67376397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).