6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C12H10N6S2 — CID 19617233

IUPAC6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccnn1Cc1nn2c(-c3cccs3)nnc2s1
InChIInChI=1S/C12H10N6S2/c1-8-4-5-13-17(8)7-10-16-18-11(9-3-2-6-19-9)14-15-12(18)20-10/h2-6H,7H2,1H3
InChIKeyLTVSFFGCWHFJRE-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.47
Rot. Bonds3

About 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 19617233) has the molecular formula C12H10N6S2 and a molecular weight of 302.39 g/mol. Its IUPAC name is 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID19617233
Molecular FormulaC12H10N6S2
Molecular Weight302.39 g/mol
Exact Mass302.04
IUPAC Name6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccnn1Cc1nn2c(-c3cccs3)nnc2s1
InChIInChI=1S/C12H10N6S2/c1-8-4-5-13-17(8)7-10-16-18-11(9-3-2-6-19-9)14-15-12(18)20-10/h2-6H,7H2,1H3
InChIKeyLTVSFFGCWHFJRE-UHFFFAOYSA-N
XLogP2.47
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 19617233) is 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1ccnn1Cc1nn2c(-c3cccs3)nnc2s1.
What is the InChIKey of 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LTVSFFGCWHFJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S2/c1-8-4-5-13-17(8)7-10-16-18-11(9-3-2-6-19-9)14-15-12(18)20-10/h2-6H,7H2,1H3.
What are the key properties of 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 302.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 19617233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).