5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C10H12N4S — CID 140912425

IUPAC5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CNCc2nnc(-c3ccsc3)n21
InChIInChI=1S/C10H12N4S/c1-7-4-11-5-9-12-13-10(14(7)9)8-2-3-15-6-8/h2-3,6-7,11H,4-5H2,1H3
InChIKeyWETLPCMHKVATCD-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.67
Rot. Bonds1

About 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 140912425) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID140912425
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CNCc2nnc(-c3ccsc3)n21
InChIInChI=1S/C10H12N4S/c1-7-4-11-5-9-12-13-10(14(7)9)8-2-3-15-6-8/h2-3,6-7,11H,4-5H2,1H3
InChIKeyWETLPCMHKVATCD-UHFFFAOYSA-N
XLogP1.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 140912425) is 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1CNCc2nnc(-c3ccsc3)n21.
What is the InChIKey of 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WETLPCMHKVATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-4-11-5-9-12-13-10(14(7)9)8-2-3-15-6-8/h2-3,6-7,11H,4-5H2,1H3.
What are the key properties of 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 220.30 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 140912425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).