3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one

C11H18N2O — CID 139584712

IUPAC3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC[C@@H](C)c1ncc(C(C)C)[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-5-8(4)10-11(14)13-9(6-12-10)7(2)3/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyKZTSFJGGBVHWIB-MRVPVSSYSA-N
MW194.28 g/mol
LogP2.41
Rot. Bonds3

About 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one

3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 139584712) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID139584712
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC[C@@H](C)c1ncc(C(C)C)[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-5-8(4)10-11(14)13-9(6-12-10)7(2)3/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyKZTSFJGGBVHWIB-MRVPVSSYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one (CID 139584712) is 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one is CC[C@@H](C)c1ncc(C(C)C)[nH]c1=O.
What is the InChIKey of 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is KZTSFJGGBVHWIB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-8(4)10-11(14)13-9(6-12-10)7(2)3/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one?
3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 139584712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).