3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile

C10H9N5S — CID 62685593

IUPAC3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile
SMILESCc1cc(Sc2nccnc2C#N)n(C)n1
InChIInChI=1S/C10H9N5S/c1-7-5-9(15(2)14-7)16-10-8(6-11)12-3-4-13-10/h3-5H,1-2H3
InChIKeyJKAIEIMJOQFNTB-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.54
Rot. Bonds2

About 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile

3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile (PubChem CID 62685593) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile
PubChem CID62685593
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile
SMILESCc1cc(Sc2nccnc2C#N)n(C)n1
InChIInChI=1S/C10H9N5S/c1-7-5-9(15(2)14-7)16-10-8(6-11)12-3-4-13-10/h3-5H,1-2H3
InChIKeyJKAIEIMJOQFNTB-UHFFFAOYSA-N
XLogP1.54
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-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-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile (CID 62685593) is 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile is Cc1cc(Sc2nccnc2C#N)n(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile?
The InChIKey is JKAIEIMJOQFNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-7-5-9(15(2)14-7)16-10-8(6-11)12-3-4-13-10/h3-5H,1-2H3.
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile?
3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile has a molecular weight of 231.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile is sourced from PubChem (CID 62685593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).