3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one

C10H16N2O — CID 10397401

IUPAC3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCc1nc(C)c(=O)[nH]c1CC(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)5-9-7(3)11-8(4)10(13)12-9/h6H,5H2,1-4H3,(H,12,13)
InChIKeyCHZJKPGLMQFFIG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds2

About 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one

3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one (PubChem CID 10397401) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one
PubChem CID10397401
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCc1nc(C)c(=O)[nH]c1CC(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)5-9-7(3)11-8(4)10(13)12-9/h6H,5H2,1-4H3,(H,12,13)
InChIKeyCHZJKPGLMQFFIG-UHFFFAOYSA-N
XLogP1.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one?
The IUPAC name of 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one (CID 10397401) is 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one?
The canonical SMILES for 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one is Cc1nc(C)c(=O)[nH]c1CC(C)C.
What is the InChIKey of 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one?
The InChIKey is CHZJKPGLMQFFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)5-9-7(3)11-8(4)10(13)12-9/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one?
3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-(2-methylpropyl)-1H-pyrazin-2-one is sourced from PubChem (CID 10397401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).