2-benzyl-4-chloro-5-methoxypyridazin-3-one

C12H11ClN2O2 — CID 737015

IUPAC2-benzyl-4-chloro-5-methoxypyridazin-3-one
SMILESCOc1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-17-10-7-14-15(12(16)11(10)13)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyKVZQNLPOHROISY-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.95
Rot. Bonds3

About 2-benzyl-4-chloro-5-methoxypyridazin-3-one

2-benzyl-4-chloro-5-methoxypyridazin-3-one (PubChem CID 737015) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-methoxypyridazin-3-one
PubChem CID737015
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-benzyl-4-chloro-5-methoxypyridazin-3-one
SMILESCOc1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-17-10-7-14-15(12(16)11(10)13)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyKVZQNLPOHROISY-UHFFFAOYSA-N
XLogP1.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-4-chloro-5-methoxypyridazin-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

Related Compounds

2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
CID 90288515
2-benzyl-5-methoxy-3-oxopyridazine-4-carbonitrile
CID 44604082
2-benzyl-4-benzylsulfanyl-5-methoxypyridazin-3-one
CID 851026
2-benzyl-5-(3-bromopropoxy)-4-chloropyridazin-3-one
CID 11485115
2-benzyl-4-[(2-benzyl-5-methoxy-3-oxopyridazin-4-yl)-hydroxy-phenylmethyl]-5-methoxypyridazin-3-one
CID 44605368
2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one
CID 56927430
2-benzyl-4-chloro-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 55346574
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
1-benzyl-5,6-dimethoxyindazole
CID 83414174
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
CID 53475520

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-methoxypyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-methoxypyridazin-3-one (CID 737015) is 2-benzyl-4-chloro-5-methoxypyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-methoxypyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-methoxypyridazin-3-one is COc1cnn(Cc2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2-benzyl-4-chloro-5-methoxypyridazin-3-one?
The InChIKey is KVZQNLPOHROISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-17-10-7-14-15(12(16)11(10)13)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 2-benzyl-4-chloro-5-methoxypyridazin-3-one?
2-benzyl-4-chloro-5-methoxypyridazin-3-one has a molecular weight of 250.69 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-methoxypyridazin-3-one is sourced from PubChem (CID 737015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).