8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione

C5H3ClN4S — CID 130520880

IUPAC8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione
SMILESS=c1[nH]nc2c(Cl)nccn12
InChIInChI=1S/C5H3ClN4S/c6-3-4-8-9-5(11)10(4)2-1-7-3/h1-2H,(H,9,11)
InChIKeyUBLJIQPGJGAUFB-UHFFFAOYSA-N
MW186.63 g/mol
LogP1.44
Rot. Bonds

About 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione

8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione (PubChem CID 130520880) has the molecular formula C5H3ClN4S and a molecular weight of 186.63 g/mol. Its IUPAC name is 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione.

Molecular Properties

Compound Name8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione
PubChem CID130520880
Molecular FormulaC5H3ClN4S
Molecular Weight186.63 g/mol
Exact Mass185.98
IUPAC Name8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione
SMILESS=c1[nH]nc2c(Cl)nccn12
InChIInChI=1S/C5H3ClN4S/c6-3-4-8-9-5(11)10(4)2-1-7-3/h1-2H,(H,9,11)
InChIKeyUBLJIQPGJGAUFB-UHFFFAOYSA-N
XLogP1.44
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.63
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 89399008
CID 89399008
3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 133054598
(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
CID 58388823
8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 107939390
7-(3-chloro-2-methylphenyl)-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 66828157
8-(4-chlorophenoxy)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 50928575
8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 84700451
8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 79659917
3-bromo-8-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 122655923
10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione
CID 941096
3-chloroimidazo[1,2-a]pyrazine-8-carbaldehyde
CID 84658223
6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 89443777

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione?
The IUPAC name of 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione (CID 130520880) is 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione.
What is the SMILES notation for 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione?
The canonical SMILES for 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione is S=c1[nH]nc2c(Cl)nccn12.
What is the InChIKey of 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione?
The InChIKey is UBLJIQPGJGAUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4S/c6-3-4-8-9-5(11)10(4)2-1-7-3/h1-2H,(H,9,11).
What are the key properties of 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione?
8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione has a molecular weight of 186.63 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3-thione is sourced from PubChem (CID 130520880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).