3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one

C8H11ClN2O — CID 130775787

IUPAC3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one
SMILESCCn1c(C)c(C)nc(Cl)c1=O
InChIInChI=1S/C8H11ClN2O/c1-4-11-6(3)5(2)10-7(9)8(11)12/h4H2,1-3H3
InChIKeyXZWDZNMWVDBLOD-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.53
Rot. Bonds1

About 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one

3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one (PubChem CID 130775787) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one
PubChem CID130775787
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one
SMILESCCn1c(C)c(C)nc(Cl)c1=O
InChIInChI=1S/C8H11ClN2O/c1-4-11-6(3)5(2)10-7(9)8(11)12/h4H2,1-3H3
InChIKeyXZWDZNMWVDBLOD-UHFFFAOYSA-N
XLogP1.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one?
The IUPAC name of 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one (CID 130775787) is 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one.
What is the SMILES notation for 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one?
The canonical SMILES for 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one is CCn1c(C)c(C)nc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one?
The InChIKey is XZWDZNMWVDBLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-4-11-6(3)5(2)10-7(9)8(11)12/h4H2,1-3H3.
What are the key properties of 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one?
3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one has a molecular weight of 186.64 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-5,6-dimethylpyrazin-2-one is sourced from PubChem (CID 130775787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).