4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one

C7H7N3O — CID 66979269

IUPAC4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one
SMILESO=C1C=NC2C=CN=CC2N1
InChIInChI=1S/C7H7N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-6H,(H,10,11)
InChIKeyCZJYCVNIUHGUBO-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.48
Rot. Bonds

About 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one

4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 66979269) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one
PubChem CID66979269
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one
SMILESO=C1C=NC2C=CN=CC2N1
InChIInChI=1S/C7H7N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-6H,(H,10,11)
InChIKeyCZJYCVNIUHGUBO-UHFFFAOYSA-N
XLogP-0.48
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one (CID 66979269) is 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one is O=C1C=NC2C=CN=CC2N1.
What is the InChIKey of 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is CZJYCVNIUHGUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-6H,(H,10,11).
What are the key properties of 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one?
4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 149.15 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydro-4H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 66979269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).