1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol

C7H8N4S — CID 167202261

IUPAC1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol
SMILESCC(S)c1cn2ncnc2cn1
InChIInChI=1S/C7H8N4S/c1-5(12)6-3-11-7(2-8-6)9-4-10-11/h2-5,12H,1H3
InChIKeyOPLWTIPSASNDLX-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.12
Rot. Bonds1

About 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol

1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol (PubChem CID 167202261) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol.

Molecular Properties

Compound Name1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol
PubChem CID167202261
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol
SMILESCC(S)c1cn2ncnc2cn1
InChIInChI=1S/C7H8N4S/c1-5(12)6-3-11-7(2-8-6)9-4-10-11/h2-5,12H,1H3
InChIKeyOPLWTIPSASNDLX-UHFFFAOYSA-N
XLogP1.12
TPSA43.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[1,2,4]triazolo[1,5-a]pyrazine-6-thiol
CID 163941645
6-chloro-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797566
6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 11535564
6-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797699
6-fluoro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137332707
6-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 155249781
N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 123664877
6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797814
1-[5-(trifluoromethyl)pyrazin-2-yl]ethanethiol
CID 134474838
6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine
CID 59095683
6-fluoro-7-iodo-[1,2,4]triazolo[1,5-a]pyridine
CID 162381856
6-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridine
CID 131677042

Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol?
The IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol (CID 167202261) is 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol.
What is the SMILES notation for 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol?
The canonical SMILES for 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol is CC(S)c1cn2ncnc2cn1.
What is the InChIKey of 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol?
The InChIKey is OPLWTIPSASNDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-5(12)6-3-11-7(2-8-6)9-4-10-11/h2-5,12H,1H3.
What are the key properties of 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol?
1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol has a molecular weight of 180.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol is sourced from PubChem (CID 167202261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).