2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one

C8H7N3O2 — CID 122435153

IUPAC2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one
SMILESCOc1cnc2c(=O)[nH]ccc2n1
InChIInChI=1S/C8H7N3O2/c1-13-6-4-10-7-5(11-6)2-3-9-8(7)12/h2-4H,1H3,(H,9,12)
InChIKeyOSQGYRFLGMUGOE-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.33
Rot. Bonds1

About 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one

2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one (PubChem CID 122435153) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one
PubChem CID122435153
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one
SMILESCOc1cnc2c(=O)[nH]ccc2n1
InChIInChI=1S/C8H7N3O2/c1-13-6-4-10-7-5(11-6)2-3-9-8(7)12/h2-4H,1H3,(H,9,12)
InChIKeyOSQGYRFLGMUGOE-UHFFFAOYSA-N
XLogP0.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one?
The IUPAC name of 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one (CID 122435153) is 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one.
What is the SMILES notation for 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one?
The canonical SMILES for 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one is COc1cnc2c(=O)[nH]ccc2n1.
What is the InChIKey of 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one?
The InChIKey is OSQGYRFLGMUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-6-4-10-7-5(11-6)2-3-9-8(7)12/h2-4H,1H3,(H,9,12).
What are the key properties of 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one?
2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one has a molecular weight of 177.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 122435153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).