6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C10H14N8S — CID 56865130

IUPAC6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCc1nnc2sc(CCn3nnnc3C)nn12
InChIInChI=1S/C10H14N8S/c1-3-4-8-12-13-10-18(8)14-9(19-10)5-6-17-7(2)11-15-16-17/h3-6H2,1-2H3
InChIKeyJQGKEZNGOHOZQB-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.68
Rot. Bonds5

About 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 56865130) has the molecular formula C10H14N8S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID56865130
Molecular FormulaC10H14N8S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCc1nnc2sc(CCn3nnnc3C)nn12
InChIInChI=1S/C10H14N8S/c1-3-4-8-12-13-10-18(8)14-9(19-10)5-6-17-7(2)11-15-16-17/h3-6H2,1-2H3
InChIKeyJQGKEZNGOHOZQB-UHFFFAOYSA-N
XLogP0.68
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 56865130) is 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCCc1nnc2sc(CCn3nnnc3C)nn12.
What is the InChIKey of 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is JQGKEZNGOHOZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8S/c1-3-4-8-12-13-10-18(8)14-9(19-10)5-6-17-7(2)11-15-16-17/h3-6H2,1-2H3.
What are the key properties of 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 278.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methyltetrazol-1-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 56865130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).