3-methyl-1-propylpyrazin-2-one

C8H12N2O — CID 130571193

IUPAC3-methyl-1-propylpyrazin-2-one
SMILESCCCn1ccnc(C)c1=O
InChIInChI=1S/C8H12N2O/c1-3-5-10-6-4-9-7(2)8(10)11/h4,6H,3,5H2,1-2H3
InChIKeyRLLVTHIGENZCLX-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.96
Rot. Bonds2

About 3-methyl-1-propylpyrazin-2-one

3-methyl-1-propylpyrazin-2-one (PubChem CID 130571193) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-methyl-1-propylpyrazin-2-one
PubChem CID130571193
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-1-propylpyrazin-2-one
SMILESCCCn1ccnc(C)c1=O
InChIInChI=1S/C8H12N2O/c1-3-5-10-6-4-9-7(2)8(10)11/h4,6H,3,5H2,1-2H3
InChIKeyRLLVTHIGENZCLX-UHFFFAOYSA-N
XLogP0.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylpyrazin-2-one?
The IUPAC name of 3-methyl-1-propylpyrazin-2-one (CID 130571193) is 3-methyl-1-propylpyrazin-2-one.
What is the SMILES notation for 3-methyl-1-propylpyrazin-2-one?
The canonical SMILES for 3-methyl-1-propylpyrazin-2-one is CCCn1ccnc(C)c1=O.
What is the InChIKey of 3-methyl-1-propylpyrazin-2-one?
The InChIKey is RLLVTHIGENZCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-5-10-6-4-9-7(2)8(10)11/h4,6H,3,5H2,1-2H3.
What are the key properties of 3-methyl-1-propylpyrazin-2-one?
3-methyl-1-propylpyrazin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylpyrazin-2-one is sourced from PubChem (CID 130571193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).