5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole

C15H14N6S2 — CID 162417137

IUPAC5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole
SMILESCc1c(-c2cnnn2Cc2cccs2)nnn1Cc1cccs1
InChIInChI=1S/C15H14N6S2/c1-11-15(17-19-20(11)9-12-4-2-6-22-12)14-8-16-18-21(14)10-13-5-3-7-23-13/h2-8H,9-10H2,1H3
InChIKeyVJBOWLYPUPYBPR-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.06
Rot. Bonds5

About 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole

5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole (PubChem CID 162417137) has the molecular formula C15H14N6S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole.

Molecular Properties

Compound Name5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole
PubChem CID162417137
Molecular FormulaC15H14N6S2
Molecular Weight342.45 g/mol
Exact Mass342.07
IUPAC Name5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole
SMILESCc1c(-c2cnnn2Cc2cccs2)nnn1Cc1cccs1
InChIInChI=1S/C15H14N6S2/c1-11-15(17-19-20(11)9-12-4-2-6-22-12)14-8-16-18-21(14)10-13-5-3-7-23-13/h2-8H,9-10H2,1H3
InChIKeyVJBOWLYPUPYBPR-UHFFFAOYSA-N
XLogP3.06
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole?
The IUPAC name of 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole (CID 162417137) is 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole.
What is the SMILES notation for 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole?
The canonical SMILES for 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole is Cc1c(-c2cnnn2Cc2cccs2)nnn1Cc1cccs1.
What is the InChIKey of 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole?
The InChIKey is VJBOWLYPUPYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S2/c1-11-15(17-19-20(11)9-12-4-2-6-22-12)14-8-16-18-21(14)10-13-5-3-7-23-13/h2-8H,9-10H2,1H3.
What are the key properties of 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole?
5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole has a molecular weight of 342.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(thiophen-2-ylmethyl)-4-[3-(thiophen-2-ylmethyl)triazol-4-yl]triazole is sourced from PubChem (CID 162417137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).