3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide

C8H6N8OS — CID 60810620

IUPAC3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1sccc1-n1cnnn1
InChIInChI=1S/C8H6N8OS/c17-7(12-8-9-3-10-13-8)6-5(1-2-18-6)16-4-11-14-15-16/h1-4H,(H2,9,10,12,13,17)
InChIKeyHITFYBXTQJQPBT-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.09
Rot. Bonds3

About 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide

3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide (PubChem CID 60810620) has the molecular formula C8H6N8OS and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
PubChem CID60810620
Molecular FormulaC8H6N8OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1sccc1-n1cnnn1
InChIInChI=1S/C8H6N8OS/c17-7(12-8-9-3-10-13-8)6-5(1-2-18-6)16-4-11-14-15-16/h1-4H,(H2,9,10,12,13,17)
InChIKeyHITFYBXTQJQPBT-UHFFFAOYSA-N
XLogP0.09
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide (CID 60810620) is 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ncn[nH]1)c1sccc1-n1cnnn1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
The InChIKey is HITFYBXTQJQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N8OS/c17-7(12-8-9-3-10-13-8)6-5(1-2-18-6)16-4-11-14-15-16/h1-4H,(H2,9,10,12,13,17).
What are the key properties of 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide?
3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 60810620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).