5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile

C8H6N6S — CID 104603094

IUPAC5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCn1ncnc1Sc1cnc(C#N)cn1
InChIInChI=1S/C8H6N6S/c1-14-8(12-5-13-14)15-7-4-10-6(2-9)3-11-7/h3-5H,1H3
InChIKeyDBRLZPCEIIBZBU-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.63
Rot. Bonds2

About 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile

5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 104603094) has the molecular formula C8H6N6S and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID104603094
Molecular FormulaC8H6N6S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCn1ncnc1Sc1cnc(C#N)cn1
InChIInChI=1S/C8H6N6S/c1-14-8(12-5-13-14)15-7-4-10-6(2-9)3-11-7/h3-5H,1H3
InChIKeyDBRLZPCEIIBZBU-UHFFFAOYSA-N
XLogP0.63
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 104604171
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 104603069
N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
CID 104604312
5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile
CID 63659452
4-[(1R)-1-hydroxyethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 113431913
5-bromo-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 114893494
4-bromo-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 114905050
5-(1,3-thiazol-2-ylsulfanyl)pyrazine-2-carbonitrile
CID 63658742
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104603070
2-methyl-N-[[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-2-amine
CID 104604343
5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
CID 133492994

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile (CID 104603094) is 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile is Cn1ncnc1Sc1cnc(C#N)cn1.
What is the InChIKey of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is DBRLZPCEIIBZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6S/c1-14-8(12-5-13-14)15-7-4-10-6(2-9)3-11-7/h3-5H,1H3.
What are the key properties of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile?
5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 218.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 104603094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).