2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one

C12H10N2OS — CID 82376382

IUPAC2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
SMILESO=C1Nc2cscc2NC1c1ccccc1
InChIInChI=1S/C12H10N2OS/c15-12-11(8-4-2-1-3-5-8)13-9-6-16-7-10(9)14-12/h1-7,11,13H,(H,14,15)
InChIKeyKNOPGVKHSXANML-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.85
Rot. Bonds1

About 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one

2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one (PubChem CID 82376382) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
PubChem CID82376382
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
SMILESO=C1Nc2cscc2NC1c1ccccc1
InChIInChI=1S/C12H10N2OS/c15-12-11(8-4-2-1-3-5-8)13-9-6-16-7-10(9)14-12/h1-7,11,13H,(H,14,15)
InChIKeyKNOPGVKHSXANML-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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6-fluoro-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
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7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
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7-fluoro-6-methyl-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 103594416
2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
CID 82376389
iron;methyl 3-oxo-2-phenyl-2,4-dihydro-1H-quinoxaline-6-carboxylate
CID 157433888
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
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(3S,6S)-3-tert-butyl-6-phenylpiperazine-2,5-dione
CID 131922882
8-methyl-3-phenyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 79293097

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one?
The IUPAC name of 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one (CID 82376382) is 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one is O=C1Nc2cscc2NC1c1ccccc1.
What is the InChIKey of 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one?
The InChIKey is KNOPGVKHSXANML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-12-11(8-4-2-1-3-5-8)13-9-6-16-7-10(9)14-12/h1-7,11,13H,(H,14,15).
What are the key properties of 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one?
2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one has a molecular weight of 230.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one is sourced from PubChem (CID 82376382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).