7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine

C7H4N6S — CID 5305172

IUPAC7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine
SMILESc1cc(-c2cnn3nnnc3n2)cs1
InChIInChI=1S/C7H4N6S/c1-2-14-4-5(1)6-3-8-13-7(9-6)10-11-12-13/h1-4H
InChIKeyNWTUSGYKCJCTQG-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.64
Rot. Bonds1

About 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine

7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine (PubChem CID 5305172) has the molecular formula C7H4N6S and a molecular weight of 204.22 g/mol. Its IUPAC name is 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine.

Molecular Properties

Compound Name7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine
PubChem CID5305172
Molecular FormulaC7H4N6S
Molecular Weight204.22 g/mol
Exact Mass204.02
IUPAC Name7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine
SMILESc1cc(-c2cnn3nnnc3n2)cs1
InChIInChI=1S/C7H4N6S/c1-2-14-4-5(1)6-3-8-13-7(9-6)10-11-12-13/h1-4H
InChIKeyNWTUSGYKCJCTQG-UHFFFAOYSA-N
XLogP0.64
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine?
The IUPAC name of 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine (CID 5305172) is 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine.
What is the SMILES notation for 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine?
The canonical SMILES for 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine is c1cc(-c2cnn3nnnc3n2)cs1.
What is the InChIKey of 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine?
The InChIKey is NWTUSGYKCJCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N6S/c1-2-14-4-5(1)6-3-8-13-7(9-6)10-11-12-13/h1-4H.
What are the key properties of 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine?
7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine has a molecular weight of 204.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-3-yltetrazolo[1,5-b][1,2,4]triazine is sourced from PubChem (CID 5305172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).