6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one

C15H17ClN2O2 — CID 171525323

IUPAC6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one
SMILESCOc1ccc(C)c(Cn2nc(Cl)c(C)cc2=O)c1C
InChIInChI=1S/C15H17ClN2O2/c1-9-5-6-13(20-4)11(3)12(9)8-18-14(19)7-10(2)15(16)17-18/h5-7H,8H2,1-4H3
InChIKeyDIMVFSAWAFSDJW-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.88
Rot. Bonds3

About 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one

6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one (PubChem CID 171525323) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one
PubChem CID171525323
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one
SMILESCOc1ccc(C)c(Cn2nc(Cl)c(C)cc2=O)c1C
InChIInChI=1S/C15H17ClN2O2/c1-9-5-6-13(20-4)11(3)12(9)8-18-14(19)7-10(2)15(16)17-18/h5-7H,8H2,1-4H3
InChIKeyDIMVFSAWAFSDJW-UHFFFAOYSA-N
XLogP2.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one?
The IUPAC name of 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one (CID 171525323) is 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one is COc1ccc(C)c(Cn2nc(Cl)c(C)cc2=O)c1C.
What is the InChIKey of 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one?
The InChIKey is DIMVFSAWAFSDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-5-6-13(20-4)11(3)12(9)8-18-14(19)7-10(2)15(16)17-18/h5-7H,8H2,1-4H3.
What are the key properties of 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one?
6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 171525323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).