6-(2-methylpropyl)-1H-pyrazin-2-one

C8H12N2O — CID 23036574

IUPAC6-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCC(C)Cc1cncc(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-6(2)3-7-4-9-5-8(11)10-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyIKYWICGUKATSTF-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.97
Rot. Bonds2

About 6-(2-methylpropyl)-1H-pyrazin-2-one

6-(2-methylpropyl)-1H-pyrazin-2-one (PubChem CID 23036574) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-1H-pyrazin-2-one
PubChem CID23036574
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name6-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCC(C)Cc1cncc(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-6(2)3-7-4-9-5-8(11)10-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyIKYWICGUKATSTF-UHFFFAOYSA-N
XLogP0.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-1H-pyrazin-2-one?
The IUPAC name of 6-(2-methylpropyl)-1H-pyrazin-2-one (CID 23036574) is 6-(2-methylpropyl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-1H-pyrazin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-1H-pyrazin-2-one is CC(C)Cc1cncc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-1H-pyrazin-2-one?
The InChIKey is IKYWICGUKATSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)3-7-4-9-5-8(11)10-7/h4-6H,3H2,1-2H3,(H,10,11).
What are the key properties of 6-(2-methylpropyl)-1H-pyrazin-2-one?
6-(2-methylpropyl)-1H-pyrazin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1H-pyrazin-2-one is sourced from PubChem (CID 23036574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).