5-chloro-3-methoxy-1H-pyrazin-2-one

C5H5ClN2O2 — CID 131855593

IUPAC5-chloro-3-methoxy-1H-pyrazin-2-one
SMILESCOc1nc(Cl)c[nH]c1=O
InChIInChI=1S/C5H5ClN2O2/c1-10-5-4(9)7-2-3(6)8-5/h2H,1H3,(H,7,9)
InChIKeyOZVMABMIMSNMLX-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.43
Rot. Bonds1

About 5-chloro-3-methoxy-1H-pyrazin-2-one

5-chloro-3-methoxy-1H-pyrazin-2-one (PubChem CID 131855593) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 5-chloro-3-methoxy-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-methoxy-1H-pyrazin-2-one
PubChem CID131855593
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name5-chloro-3-methoxy-1H-pyrazin-2-one
SMILESCOc1nc(Cl)c[nH]c1=O
InChIInChI=1S/C5H5ClN2O2/c1-10-5-4(9)7-2-3(6)8-5/h2H,1H3,(H,7,9)
InChIKeyOZVMABMIMSNMLX-UHFFFAOYSA-N
XLogP0.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-1H-pyrazin-2-one?
The IUPAC name of 5-chloro-3-methoxy-1H-pyrazin-2-one (CID 131855593) is 5-chloro-3-methoxy-1H-pyrazin-2-one.
What is the SMILES notation for 5-chloro-3-methoxy-1H-pyrazin-2-one?
The canonical SMILES for 5-chloro-3-methoxy-1H-pyrazin-2-one is COc1nc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-3-methoxy-1H-pyrazin-2-one?
The InChIKey is OZVMABMIMSNMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c1-10-5-4(9)7-2-3(6)8-5/h2H,1H3,(H,7,9).
What are the key properties of 5-chloro-3-methoxy-1H-pyrazin-2-one?
5-chloro-3-methoxy-1H-pyrazin-2-one has a molecular weight of 160.56 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-1H-pyrazin-2-one is sourced from PubChem (CID 131855593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).