5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one

C8H6Cl2N2OS — CID 8005204

IUPAC5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6Cl2N2OS/c9-5-3-4(7(10)14-5)6-8(13)12-2-1-11-6/h3H,1-2H2,(H,12,13)
InChIKeySIZHHTYIMKODBK-UHFFFAOYSA-N
MW249.12 g/mol
LogP1.97
Rot. Bonds1

About 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one

5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 8005204) has the molecular formula C8H6Cl2N2OS and a molecular weight of 249.12 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID8005204
Molecular FormulaC8H6Cl2N2OS
Molecular Weight249.12 g/mol
Exact Mass247.96
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6Cl2N2OS/c9-5-3-4(7(10)14-5)6-8(13)12-2-1-11-6/h3H,1-2H2,(H,12,13)
InChIKeySIZHHTYIMKODBK-UHFFFAOYSA-N
XLogP1.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one (CID 8005204) is 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one is O=C1NCCN=C1c1cc(Cl)sc1Cl.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is SIZHHTYIMKODBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2OS/c9-5-3-4(7(10)14-5)6-8(13)12-2-1-11-6/h3H,1-2H2,(H,12,13).
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one?
5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 249.12 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 8005204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).