(3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one

C8H9N3O — CID 82415154

IUPAC(3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one
SMILESC[C@@H]1Nc2cnccc2NC1=O
InChIInChI=1S/C8H9N3O/c1-5-8(12)11-6-2-3-9-4-7(6)10-5/h2-5,10H,1H3,(H,11,12)/t5-/m0/s1
InChIKeyAZCCYNDIEOBLIV-YFKPBYRVSA-N
MW163.18 g/mol
LogP0.83
Rot. Bonds

About (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one

(3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one (PubChem CID 82415154) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one
PubChem CID82415154
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name(3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one
SMILESC[C@@H]1Nc2cnccc2NC1=O
InChIInChI=1S/C8H9N3O/c1-5-8(12)11-6-2-3-9-4-7(6)10-5/h2-5,10H,1H3,(H,11,12)/t5-/m0/s1
InChIKeyAZCCYNDIEOBLIV-YFKPBYRVSA-N
XLogP0.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one (CID 82415154) is (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one is C[C@@H]1Nc2cnccc2NC1=O.
What is the InChIKey of (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one?
The InChIKey is AZCCYNDIEOBLIV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-8(12)11-6-2-3-9-4-7(6)10-5/h2-5,10H,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one?
(3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 82415154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).