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

C12H10N6S2 — CID 53368804

IUPAC6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1c(-c2nn3c(-c4ccsc4)nnc3s2)cnn1C
InChIInChI=1S/C12H10N6S2/c1-7-9(5-13-17(7)2)11-16-18-10(8-3-4-19-6-8)14-15-12(18)20-11/h3-6H,1-2H3
InChIKeyZWWBIHYJQFJFCK-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.62
Rot. Bonds2

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

6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 53368804) has the molecular formula C12H10N6S2 and a molecular weight of 302.39 g/mol. Its IUPAC name is 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID53368804
Molecular FormulaC12H10N6S2
Molecular Weight302.39 g/mol
Exact Mass302.04
IUPAC Name6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1c(-c2nn3c(-c4ccsc4)nnc3s2)cnn1C
InChIInChI=1S/C12H10N6S2/c1-7-9(5-13-17(7)2)11-16-18-10(8-3-4-19-6-8)14-15-12(18)20-11/h3-6H,1-2H3
InChIKeyZWWBIHYJQFJFCK-UHFFFAOYSA-N
XLogP2.62
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 53368804) is 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1c(-c2nn3c(-c4ccsc4)nnc3s2)cnn1C.
What is the InChIKey of 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZWWBIHYJQFJFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S2/c1-7-9(5-13-17(7)2)11-16-18-10(8-3-4-19-6-8)14-15-12(18)20-11/h3-6H,1-2H3.
What are the key properties of 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 302.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylpyrazol-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 53368804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).