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

C8H7N5O2S — CID 104604171

IUPAC5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
SMILESCn1ncnc1Sc1cnc(C(=O)O)cn1
InChIInChI=1S/C8H7N5O2S/c1-13-8(11-4-12-13)16-6-3-9-5(2-10-6)7(14)15/h2-4H,1H3,(H,14,15)
InChIKeyTYIYOURTWMMLRW-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.45
Rot. Bonds3

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

5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid (PubChem CID 104604171) has the molecular formula C8H7N5O2S and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
PubChem CID104604171
Molecular FormulaC8H7N5O2S
Molecular Weight237.24 g/mol
Exact Mass237.03
IUPAC Name5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
SMILESCn1ncnc1Sc1cnc(C(=O)O)cn1
InChIInChI=1S/C8H7N5O2S/c1-13-8(11-4-12-13)16-6-3-9-5(2-10-6)7(14)15/h2-4H,1H3,(H,14,15)
InChIKeyTYIYOURTWMMLRW-UHFFFAOYSA-N
XLogP0.45
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid 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-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
CID 104603094
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 104602659
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 104604147
5-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylic acid
CID 107372609
2-bromo-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoic acid
CID 114888829
1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
CID 104651968
1-[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone
CID 104603266
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrobenzoic acid
CID 104602672
N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
CID 104604312
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitrobenzoic acid
CID 104602705
2-methyl-N-[[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-2-amine
CID 104604343
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603418

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid (CID 104604171) is 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid is Cn1ncnc1Sc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid?
The InChIKey is TYIYOURTWMMLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S/c1-13-8(11-4-12-13)16-6-3-9-5(2-10-6)7(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid?
5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid has a molecular weight of 237.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 104604171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).