4-hydrazinyl-3-methoxybenzonitrile;hydrochloride

C8H10ClN3O — CID 53404327

IUPAC4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
SMILESCOc1cc(C#N)ccc1NN.Cl
InChIInChI=1S/C8H9N3O.ClH/c1-12-8-4-6(5-9)2-3-7(8)11-10;/h2-4,11H,10H2,1H3;1H
InChIKeyHSXWHWHEPRQVII-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.27
Rot. Bonds2

About 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride

4-hydrazinyl-3-methoxybenzonitrile;hydrochloride (PubChem CID 53404327) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride.

Molecular Properties

Compound Name4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
PubChem CID53404327
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
SMILESCOc1cc(C#N)ccc1NN.Cl
InChIInChI=1S/C8H9N3O.ClH/c1-12-8-4-6(5-9)2-3-7(8)11-10;/h2-4,11H,10H2,1H3;1H
InChIKeyHSXWHWHEPRQVII-UHFFFAOYSA-N
XLogP1.27
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
4-(1-cyanoethylamino)-3-methoxybenzonitrile
CID 104848721
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
3-methoxy-4-(3-methylbutan-2-ylamino)benzonitrile
CID 104848054
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
4-(2-amino-4-methylanilino)-3-methoxybenzonitrile
CID 104847906
4-(3,4-diaminoanilino)-3-methoxybenzonitrile
CID 106751142
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
4-(aminomethyl)-3-methoxybenzonitrile;hydrochloride
CID 18424089

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride?
The IUPAC name of 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride (CID 53404327) is 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride.
What is the SMILES notation for 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride?
The canonical SMILES for 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride is COc1cc(C#N)ccc1NN.Cl.
What is the InChIKey of 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride?
The InChIKey is HSXWHWHEPRQVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.ClH/c1-12-8-4-6(5-9)2-3-7(8)11-10;/h2-4,11H,10H2,1H3;1H.
What are the key properties of 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride?
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-methoxybenzonitrile;hydrochloride is sourced from PubChem (CID 53404327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).