[1,2,4]triazolo[1,5-a]pyrazine-6-thiol

C5H4N4S — CID 163941645

IUPAC[1,2,4]triazolo[1,5-a]pyrazine-6-thiol
SMILESSc1cn2ncnc2cn1
InChIInChI=1S/C5H4N4S/c10-5-2-9-4(1-6-5)7-3-8-9/h1-3,10H
InChIKeyRRMOLDUWMSONRE-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.41
Rot. Bonds

About [1,2,4]triazolo[1,5-a]pyrazine-6-thiol

[1,2,4]triazolo[1,5-a]pyrazine-6-thiol (PubChem CID 163941645) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is [1,2,4]triazolo[1,5-a]pyrazine-6-thiol.

Molecular Properties

Compound Name[1,2,4]triazolo[1,5-a]pyrazine-6-thiol
PubChem CID163941645
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name[1,2,4]triazolo[1,5-a]pyrazine-6-thiol
SMILESSc1cn2ncnc2cn1
InChIInChI=1S/C5H4N4S/c10-5-2-9-4(1-6-5)7-3-8-9/h1-3,10H
InChIKeyRRMOLDUWMSONRE-UHFFFAOYSA-N
XLogP0.41
TPSA43.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.41
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-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)ethanethiol
CID 167202261
6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 11535564
6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine
CID 59095683
N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 123664877
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
6-fluoro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137332707
6-chloro-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797566
6-[2-(4-methylphenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 50914035
[1,2,4]triazolo[1,5-a]pyridine-6-carbohydrazide
CID 169101289
imidazo[2,1-f][1,2,4]triazine;hydrochloride
CID 129057469
7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol
CID 162937311

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[1,5-a]pyrazine-6-thiol?
The IUPAC name of [1,2,4]triazolo[1,5-a]pyrazine-6-thiol (CID 163941645) is [1,2,4]triazolo[1,5-a]pyrazine-6-thiol.
What is the SMILES notation for [1,2,4]triazolo[1,5-a]pyrazine-6-thiol?
The canonical SMILES for [1,2,4]triazolo[1,5-a]pyrazine-6-thiol is Sc1cn2ncnc2cn1.
What is the InChIKey of [1,2,4]triazolo[1,5-a]pyrazine-6-thiol?
The InChIKey is RRMOLDUWMSONRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c10-5-2-9-4(1-6-5)7-3-8-9/h1-3,10H.
What are the key properties of [1,2,4]triazolo[1,5-a]pyrazine-6-thiol?
[1,2,4]triazolo[1,5-a]pyrazine-6-thiol has a molecular weight of 152.18 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[1,5-a]pyrazine-6-thiol is sourced from PubChem (CID 163941645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).