2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one

C14H16ClN3O2 — CID 82422260

IUPAC2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
SMILESCCNCc1nn(-c2cc(Cl)ccc2C)c(=O)cc1O
InChIInChI=1S/C14H16ClN3O2/c1-3-16-8-11-13(19)7-14(20)18(17-11)12-6-10(15)5-4-9(12)2/h4-7,16,19H,3,8H2,1-2H3
InChIKeyWVVXZVQLHBOMJZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.01
Rot. Bonds4

About 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one

2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one (PubChem CID 82422260) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
PubChem CID82422260
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
SMILESCCNCc1nn(-c2cc(Cl)ccc2C)c(=O)cc1O
InChIInChI=1S/C14H16ClN3O2/c1-3-16-8-11-13(19)7-14(20)18(17-11)12-6-10(15)5-4-9(12)2/h4-7,16,19H,3,8H2,1-2H3
InChIKeyWVVXZVQLHBOMJZ-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one (CID 82422260) is 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one is CCNCc1nn(-c2cc(Cl)ccc2C)c(=O)cc1O.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
The InChIKey is WVVXZVQLHBOMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-16-8-11-13(19)7-14(20)18(17-11)12-6-10(15)5-4-9(12)2/h4-7,16,19H,3,8H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one?
2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one has a molecular weight of 293.75 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one is sourced from PubChem (CID 82422260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).