6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one

C11H18N2O — CID 121434429

IUPAC6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)Cc1cnc(C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O/c1-7(2)5-9-6-12-10(8(3)4)11(14)13-9/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyWLZSJRZITZLEPW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.09
Rot. Bonds3

About 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one

6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one (PubChem CID 121434429) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one
PubChem CID121434429
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)Cc1cnc(C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O/c1-7(2)5-9-6-12-10(8(3)4)11(14)13-9/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyWLZSJRZITZLEPW-UHFFFAOYSA-N
XLogP2.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one (CID 121434429) is 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one is CC(C)Cc1cnc(C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is WLZSJRZITZLEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)5-9-6-12-10(8(3)4)11(14)13-9/h6-8H,5H2,1-4H3,(H,13,14).
What are the key properties of 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one?
6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 121434429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).