3,6-di(butan-2-yl)-1H-pyrazin-2-one

C12H20N2O — CID 10171340

IUPAC3,6-di(butan-2-yl)-1H-pyrazin-2-one
SMILESCCC(C)c1cnc(C(C)CC)c(=O)[nH]1
InChIInChI=1S/C12H20N2O/c1-5-8(3)10-7-13-11(9(4)6-2)12(15)14-10/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKeyJODWJXBQLSMNHA-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.80
Rot. Bonds4

About 3,6-di(butan-2-yl)-1H-pyrazin-2-one

3,6-di(butan-2-yl)-1H-pyrazin-2-one (PubChem CID 10171340) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,6-di(butan-2-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,6-di(butan-2-yl)-1H-pyrazin-2-one
PubChem CID10171340
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3,6-di(butan-2-yl)-1H-pyrazin-2-one
SMILESCCC(C)c1cnc(C(C)CC)c(=O)[nH]1
InChIInChI=1S/C12H20N2O/c1-5-8(3)10-7-13-11(9(4)6-2)12(15)14-10/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKeyJODWJXBQLSMNHA-UHFFFAOYSA-N
XLogP2.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,6-di(butan-2-yl)-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-di(butan-2-yl)-1H-pyrazin-2-one?
The IUPAC name of 3,6-di(butan-2-yl)-1H-pyrazin-2-one (CID 10171340) is 3,6-di(butan-2-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3,6-di(butan-2-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3,6-di(butan-2-yl)-1H-pyrazin-2-one is CCC(C)c1cnc(C(C)CC)c(=O)[nH]1.
What is the InChIKey of 3,6-di(butan-2-yl)-1H-pyrazin-2-one?
The InChIKey is JODWJXBQLSMNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-8(3)10-7-13-11(9(4)6-2)12(15)14-10/h7-9H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 3,6-di(butan-2-yl)-1H-pyrazin-2-one?
3,6-di(butan-2-yl)-1H-pyrazin-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(butan-2-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 10171340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).