3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one

C11H18N2O — CID 142472409

IUPAC3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one
SMILESCc1nc(C(C)C)c(C(C)C)[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-6(2)9-10(7(3)4)13-11(14)8(5)12-9/h6-7H,1-5H3,(H,13,14)
InChIKeyXJSJNZDIUXPCDJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.33
Rot. Bonds2

About 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one

3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one (PubChem CID 142472409) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one
PubChem CID142472409
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one
SMILESCc1nc(C(C)C)c(C(C)C)[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-6(2)9-10(7(3)4)13-11(14)8(5)12-9/h6-7H,1-5H3,(H,13,14)
InChIKeyXJSJNZDIUXPCDJ-UHFFFAOYSA-N
XLogP2.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5,6-di(propan-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-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one (CID 142472409) is 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one is Cc1nc(C(C)C)c(C(C)C)[nH]c1=O.
What is the InChIKey of 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one?
The InChIKey is XJSJNZDIUXPCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6(2)9-10(7(3)4)13-11(14)8(5)12-9/h6-7H,1-5H3,(H,13,14).
What are the key properties of 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one?
3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-di(propan-2-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 142472409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).