5-chloro-6-ethyl-1H-pyrazin-2-one

C6H7ClN2O — CID 59830260

IUPAC5-chloro-6-ethyl-1H-pyrazin-2-one
SMILESCCc1[nH]c(=O)cnc1Cl
InChIInChI=1S/C6H7ClN2O/c1-2-4-6(7)8-3-5(10)9-4/h3H,2H2,1H3,(H,9,10)
InChIKeyHDNLHEIAZGIXOB-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.99
Rot. Bonds1

About 5-chloro-6-ethyl-1H-pyrazin-2-one

5-chloro-6-ethyl-1H-pyrazin-2-one (PubChem CID 59830260) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 5-chloro-6-ethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-ethyl-1H-pyrazin-2-one
PubChem CID59830260
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name5-chloro-6-ethyl-1H-pyrazin-2-one
SMILESCCc1[nH]c(=O)cnc1Cl
InChIInChI=1S/C6H7ClN2O/c1-2-4-6(7)8-3-5(10)9-4/h3H,2H2,1H3,(H,9,10)
InChIKeyHDNLHEIAZGIXOB-UHFFFAOYSA-N
XLogP0.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-1H-pyrazin-2-one?
The IUPAC name of 5-chloro-6-ethyl-1H-pyrazin-2-one (CID 59830260) is 5-chloro-6-ethyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-chloro-6-ethyl-1H-pyrazin-2-one?
The canonical SMILES for 5-chloro-6-ethyl-1H-pyrazin-2-one is CCc1[nH]c(=O)cnc1Cl.
What is the InChIKey of 5-chloro-6-ethyl-1H-pyrazin-2-one?
The InChIKey is HDNLHEIAZGIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-4-6(7)8-3-5(10)9-4/h3H,2H2,1H3,(H,9,10).
What are the key properties of 5-chloro-6-ethyl-1H-pyrazin-2-one?
5-chloro-6-ethyl-1H-pyrazin-2-one has a molecular weight of 158.59 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-1H-pyrazin-2-one is sourced from PubChem (CID 59830260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).