1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one

C11H16N2O — CID 591239

IUPAC1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one
SMILESCCC(=O)c1nccnc1CC(C)C
InChIInChI=1S/C11H16N2O/c1-4-10(14)11-9(7-8(2)3)12-5-6-13-11/h5-6,8H,4,7H2,1-3H3
InChIKeyLDYIYWXFNWWDSP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one

1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one (PubChem CID 591239) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one
PubChem CID591239
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one
SMILESCCC(=O)c1nccnc1CC(C)C
InChIInChI=1S/C11H16N2O/c1-4-10(14)11-9(7-8(2)3)12-5-6-13-11/h5-6,8H,4,7H2,1-3H3
InChIKeyLDYIYWXFNWWDSP-UHFFFAOYSA-N
XLogP2.27
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one?
The IUPAC name of 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one (CID 591239) is 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one is CCC(=O)c1nccnc1CC(C)C.
What is the InChIKey of 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one?
The InChIKey is LDYIYWXFNWWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-10(14)11-9(7-8(2)3)12-5-6-13-11/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one?
1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)pyrazin-2-yl]propan-1-one is sourced from PubChem (CID 591239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).