6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one

C8H9N3O2 — CID 58001792

IUPAC6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2c(n1)NC(=O)CN2
InChIInChI=1S/C8H9N3O2/c1-13-7-3-2-5-8(11-7)10-6(12)4-9-5/h2-3,9H,4H2,1H3,(H,10,11,12)
InChIKeyQBANBRWELABETG-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.45
Rot. Bonds1

About 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one

6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 58001792) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
PubChem CID58001792
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2c(n1)NC(=O)CN2
InChIInChI=1S/C8H9N3O2/c1-13-7-3-2-5-8(11-7)10-6(12)4-9-5/h2-3,9H,4H2,1H3,(H,10,11,12)
InChIKeyQBANBRWELABETG-UHFFFAOYSA-N
XLogP0.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one (CID 58001792) is 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one is COc1ccc2c(n1)NC(=O)CN2.
What is the InChIKey of 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is QBANBRWELABETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-13-7-3-2-5-8(11-7)10-6(12)4-9-5/h2-3,9H,4H2,1H3,(H,10,11,12).
What are the key properties of 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 179.18 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 58001792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).