3-(3-methylphenyl)-1H-pyrazin-2-one

C11H10N2O — CID 112558965

IUPAC3-(3-methylphenyl)-1H-pyrazin-2-one
SMILESCc1cccc(-c2ncc[nH]c2=O)c1
InChIInChI=1S/C11H10N2O/c1-8-3-2-4-9(7-8)10-11(14)13-6-5-12-10/h2-7H,1H3,(H,13,14)
InChIKeyRUJXOXGAPPRWMP-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.75
Rot. Bonds1

About 3-(3-methylphenyl)-1H-pyrazin-2-one

3-(3-methylphenyl)-1H-pyrazin-2-one (PubChem CID 112558965) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1H-pyrazin-2-one
PubChem CID112558965
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-(3-methylphenyl)-1H-pyrazin-2-one
SMILESCc1cccc(-c2ncc[nH]c2=O)c1
InChIInChI=1S/C11H10N2O/c1-8-3-2-4-9(7-8)10-11(14)13-6-5-12-10/h2-7H,1H3,(H,13,14)
InChIKeyRUJXOXGAPPRWMP-UHFFFAOYSA-N
XLogP1.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-methylphenyl)-1H-pyrazin-2-one (CID 112558965) is 3-(3-methylphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-methylphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-methylphenyl)-1H-pyrazin-2-one is Cc1cccc(-c2ncc[nH]c2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-1H-pyrazin-2-one?
The InChIKey is RUJXOXGAPPRWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-3-2-4-9(7-8)10-11(14)13-6-5-12-10/h2-7H,1H3,(H,13,14).
What are the key properties of 3-(3-methylphenyl)-1H-pyrazin-2-one?
3-(3-methylphenyl)-1H-pyrazin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 112558965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).