3-methyl-5-propan-2-yl-1H-pyrazin-2-one

C8H12N2O — CID 13045102

IUPAC3-methyl-5-propan-2-yl-1H-pyrazin-2-one
SMILESCc1nc(C(C)C)c[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-5(2)7-4-9-8(11)6(3)10-7/h4-5H,1-3H3,(H,9,11)
InChIKeyXHTBPHVFIGOUOD-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.20
Rot. Bonds1

About 3-methyl-5-propan-2-yl-1H-pyrazin-2-one

3-methyl-5-propan-2-yl-1H-pyrazin-2-one (PubChem CID 13045102) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1H-pyrazin-2-one
PubChem CID13045102
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-5-propan-2-yl-1H-pyrazin-2-one
SMILESCc1nc(C(C)C)c[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-5(2)7-4-9-8(11)6(3)10-7/h4-5H,1-3H3,(H,9,11)
InChIKeyXHTBPHVFIGOUOD-UHFFFAOYSA-N
XLogP1.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-methyl-5-propan-2-yl-1H-pyrazin-2-one (CID 13045102) is 3-methyl-5-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-methyl-5-propan-2-yl-1H-pyrazin-2-one is Cc1nc(C(C)C)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is XHTBPHVFIGOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(2)7-4-9-8(11)6(3)10-7/h4-5H,1-3H3,(H,9,11).
What are the key properties of 3-methyl-5-propan-2-yl-1H-pyrazin-2-one?
3-methyl-5-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 13045102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).