5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile

C9H5N3OS — CID 106516140

IUPAC5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2cncc(=O)[nH]2)s1
InChIInChI=1S/C9H5N3OS/c10-3-6-1-2-8(14-6)7-4-11-5-9(13)12-7/h1-2,4-5H,(H,12,13)
InChIKeySUAKDZPCTLFSPW-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.37
Rot. Bonds1

About 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile

5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile (PubChem CID 106516140) has the molecular formula C9H5N3OS and a molecular weight of 203.23 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile
PubChem CID106516140
Molecular FormulaC9H5N3OS
Molecular Weight203.23 g/mol
Exact Mass203.02
IUPAC Name5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2cncc(=O)[nH]2)s1
InChIInChI=1S/C9H5N3OS/c10-3-6-1-2-8(14-6)7-4-11-5-9(13)12-7/h1-2,4-5H,(H,12,13)
InChIKeySUAKDZPCTLFSPW-UHFFFAOYSA-N
XLogP1.37
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
5-[4-sulfanylidene-2-(trifluoromethyl)-1H-pyrimidin-6-yl]thiophene-2-carbonitrile
CID 106776757
5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile
CID 106516111
5-(2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)thiophene-2-carbonitrile
CID 106516124
5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbonitrile
CID 10082783
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
2-[4-(5-cyanothiophen-2-yl)-5-methylpyrazol-1-yl]acetic acid
CID 155964978
6-(6-methyl-3-pyridinyl)-1H-pyrazin-2-one
CID 106517757
6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518555
5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile
CID 171537965
5-[5-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 102471266
5-(furan-2-yl)thiophene-2-carbonitrile
CID 57377058

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile (CID 106516140) is 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile is N#Cc1ccc(-c2cncc(=O)[nH]2)s1.
What is the InChIKey of 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile?
The InChIKey is SUAKDZPCTLFSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3OS/c10-3-6-1-2-8(14-6)7-4-11-5-9(13)12-7/h1-2,4-5H,(H,12,13).
What are the key properties of 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile?
5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile has a molecular weight of 203.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyrazin-2-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 106516140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).