1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole

C14H19N7S2 — CID 134010865

IUPAC1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole
SMILESCCCCn1nnnc1CSc1nncn1CCc1cccs1
InChIInChI=1S/C14H19N7S2/c1-2-3-7-21-13(16-18-19-21)10-23-14-17-15-11-20(14)8-6-12-5-4-9-22-12/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeySQXNMYYOGIVVRK-UHFFFAOYSA-N
MW349.49 g/mol
LogP2.66
Rot. Bonds9

About 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole

1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole (PubChem CID 134010865) has the molecular formula C14H19N7S2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole.

Molecular Properties

Compound Name1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole
PubChem CID134010865
Molecular FormulaC14H19N7S2
Molecular Weight349.49 g/mol
Exact Mass349.11
IUPAC Name1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole
SMILESCCCCn1nnnc1CSc1nncn1CCc1cccs1
InChIInChI=1S/C14H19N7S2/c1-2-3-7-21-13(16-18-19-21)10-23-14-17-15-11-20(14)8-6-12-5-4-9-22-12/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeySQXNMYYOGIVVRK-UHFFFAOYSA-N
XLogP2.66
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole
CID 47009469
ethyl 4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
CID 134010901
2-thiophen-2-yl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 51294564
5,5-dimethyl-3-[3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]imidazolidine-2,4-dione
CID 154773697
3-(4-ethylphenyl)-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24579540
3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole
CID 134010797
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 16576912
2-thiophen-3-yl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 134010875
3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole
CID 134010914
5-(4-fluorophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 37283498
5-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-propyltetrazole
CID 78815156
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 134010919

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole?
The IUPAC name of 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole (CID 134010865) is 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole.
What is the SMILES notation for 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole?
The canonical SMILES for 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole is CCCCn1nnnc1CSc1nncn1CCc1cccs1.
What is the InChIKey of 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole?
The InChIKey is SQXNMYYOGIVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7S2/c1-2-3-7-21-13(16-18-19-21)10-23-14-17-15-11-20(14)8-6-12-5-4-9-22-12/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole?
1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole has a molecular weight of 349.49 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole is sourced from PubChem (CID 134010865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).