1,3-dimethyl-5-propan-2-ylpyrazin-2-one

C9H14N2O — CID 122537466

IUPAC1,3-dimethyl-5-propan-2-ylpyrazin-2-one
SMILESCc1nc(C(C)C)cn(C)c1=O
InChIInChI=1S/C9H14N2O/c1-6(2)8-5-11(4)9(12)7(3)10-8/h5-6H,1-4H3
InChIKeyCRRPMIZVFNMZMH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-ylpyrazin-2-one

1,3-dimethyl-5-propan-2-ylpyrazin-2-one (PubChem CID 122537466) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylpyrazin-2-one
PubChem CID122537466
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1,3-dimethyl-5-propan-2-ylpyrazin-2-one
SMILESCc1nc(C(C)C)cn(C)c1=O
InChIInChI=1S/C9H14N2O/c1-6(2)8-5-11(4)9(12)7(3)10-8/h5-6H,1-4H3
InChIKeyCRRPMIZVFNMZMH-UHFFFAOYSA-N
XLogP1.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazin-2-one?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylpyrazin-2-one (CID 122537466) is 1,3-dimethyl-5-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylpyrazin-2-one?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylpyrazin-2-one is Cc1nc(C(C)C)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylpyrazin-2-one?
The InChIKey is CRRPMIZVFNMZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)8-5-11(4)9(12)7(3)10-8/h5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-ylpyrazin-2-one?
1,3-dimethyl-5-propan-2-ylpyrazin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 122537466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).