3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one

C12H10Cl2N2O2 — CID 15498463

IUPAC3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
SMILESCOc1ccc(Cn2cc(Cl)nc(Cl)c2=O)cc1
InChIInChI=1S/C12H10Cl2N2O2/c1-18-9-4-2-8(3-5-9)6-16-7-10(13)15-11(14)12(16)17/h2-5,7H,6H2,1H3
InChIKeyJPKUSSSGPZHYCR-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.61
Rot. Bonds3

About 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one

3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one (PubChem CID 15498463) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
PubChem CID15498463
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
SMILESCOc1ccc(Cn2cc(Cl)nc(Cl)c2=O)cc1
InChIInChI=1S/C12H10Cl2N2O2/c1-18-9-4-2-8(3-5-9)6-16-7-10(13)15-11(14)12(16)17/h2-5,7H,6H2,1H3
InChIKeyJPKUSSSGPZHYCR-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 4868340
1-((4-Methoxyphenyl)methyl)-1H-pyrrole-2,5-dione
CID 2737837
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 2496513
2-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 4961984
2-chloro-N-((4-methoxyphenyl)methyl)acetamide
CID 2404833
6-(4-methoxyphenyl)-2-oxo-1H-pyrazine-3-carboxamide
CID 293601
3,5-Dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
CID 11120090
3,5-Dichloro-6-(3-methoxy-phenyl)-1-methyl-1H-pyrazin-2-one
CID 13062966
2,2,2-trichloro-N-(4-methoxybenzyl)acetamide
CID 694771
2(1H)-Pyridinone, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-
CID 49822131
2-Chloro-1-(2-(4-methoxyphenyl)pyrrolidin-1-yl)ethan-1-one
CID 50989252
3,5-Dichloro-6-(4-methoxyphenyl)-1-((4-methoxyphenyl)methyl)-2(1H)-pyrazinone
CID 24814191

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The IUPAC name of 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one (CID 15498463) is 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The canonical SMILES for 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one is COc1ccc(Cn2cc(Cl)nc(Cl)c2=O)cc1.
What is the InChIKey of 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
The InChIKey is JPKUSSSGPZHYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-18-9-4-2-8(3-5-9)6-16-7-10(13)15-11(14)12(16)17/h2-5,7H,6H2,1H3.
What are the key properties of 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one?
3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one has a molecular weight of 285.13 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-[(4-methoxyphenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 15498463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).