3-(thiophen-3-ylamino)pyrazine-2-carbonitrile

C9H6N4S — CID 66356465

IUPAC3-(thiophen-3-ylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Nc1ccsc1
InChIInChI=1S/C9H6N4S/c10-5-8-9(12-3-2-11-8)13-7-1-4-14-6-7/h1-4,6H,(H,12,13)
InChIKeyWTCGOOYBXFQQCY-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.15
Rot. Bonds2

About 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile

3-(thiophen-3-ylamino)pyrazine-2-carbonitrile (PubChem CID 66356465) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(thiophen-3-ylamino)pyrazine-2-carbonitrile
PubChem CID66356465
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name3-(thiophen-3-ylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Nc1ccsc1
InChIInChI=1S/C9H6N4S/c10-5-8-9(12-3-2-11-8)13-7-1-4-14-6-7/h1-4,6H,(H,12,13)
InChIKeyWTCGOOYBXFQQCY-UHFFFAOYSA-N
XLogP2.15
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(thiophen-3-ylamino)pyrazine-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

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile (CID 66356465) is 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1Nc1ccsc1.
What is the InChIKey of 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile?
The InChIKey is WTCGOOYBXFQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c10-5-8-9(12-3-2-11-8)13-7-1-4-14-6-7/h1-4,6H,(H,12,13).
What are the key properties of 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile?
3-(thiophen-3-ylamino)pyrazine-2-carbonitrile has a molecular weight of 202.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 66356465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).