4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one

C14H15ClN2O2S — CID 75379568

IUPAC4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one
SMILESCOc1ccc(C)cc1CSc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-9-4-5-11(19-3)10(6-9)8-20-12-7-16-17(2)14(18)13(12)15/h4-7H,8H2,1-3H3
InChIKeyRLJHTEJZVOPYQQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.04
Rot. Bonds4

About 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one

4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one (PubChem CID 75379568) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one
PubChem CID75379568
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one
SMILESCOc1ccc(C)cc1CSc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-9-4-5-11(19-3)10(6-9)8-20-12-7-16-17(2)14(18)13(12)15/h4-7H,8H2,1-3H3
InChIKeyRLJHTEJZVOPYQQ-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-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

3-chloro-4-[(2-methoxy-5-methylphenyl)methylsulfanyl]aniline
CID 43305207
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-methylaniline
CID 79142232
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline
CID 43302415
5-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-methylimidazole
CID 113373734
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
4-chloro-2-methyl-5-[[4-(3-tritiosulfanyloxypropyl)phenyl]methylsulfanyl]pyridazin-3-one
CID 59722258
4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 9346379
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243
3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-methoxybenzaldehyde
CID 60778710
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]propanoic acid
CID 43092549
1-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 18197069
1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol
CID 64666153

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one (CID 75379568) is 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one is COc1ccc(C)cc1CSc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one?
The InChIKey is RLJHTEJZVOPYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-4-5-11(19-3)10(6-9)8-20-12-7-16-17(2)14(18)13(12)15/h4-7H,8H2,1-3H3.
What are the key properties of 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one?
4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one has a molecular weight of 310.81 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 75379568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).