5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one

C13H9N3O2 — CID 59755995

IUPAC5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cnccn3)oc(=O)c12
InChIInChI=1S/C13H9N3O2/c1-8-3-2-4-9-11(8)13(17)18-12(16-9)10-7-14-5-6-15-10/h2-7H,1H3
InChIKeyCTVUFVGTBAUFMW-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.95
Rot. Bonds1

About 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one

5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one (PubChem CID 59755995) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one
PubChem CID59755995
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cnccn3)oc(=O)c12
InChIInChI=1S/C13H9N3O2/c1-8-3-2-4-9-11(8)13(17)18-12(16-9)10-7-14-5-6-15-10/h2-7H,1H3
InChIKeyCTVUFVGTBAUFMW-UHFFFAOYSA-N
XLogP1.95
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one?
The IUPAC name of 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one (CID 59755995) is 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one?
The canonical SMILES for 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3cnccn3)oc(=O)c12.
What is the InChIKey of 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one?
The InChIKey is CTVUFVGTBAUFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c1-8-3-2-4-9-11(8)13(17)18-12(16-9)10-7-14-5-6-15-10/h2-7H,1H3.
What are the key properties of 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one?
5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one has a molecular weight of 239.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrazin-2-yl-3,1-benzoxazin-4-one is sourced from PubChem (CID 59755995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).