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

C9H8N8OS — CID 54885346

IUPAC3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1sccc1-n1cnnn1
InChIInChI=1S/C9H8N8OS/c18-9(10-3-7-11-4-12-14-7)8-6(1-2-19-8)17-5-13-15-16-17/h1-2,4-5H,3H2,(H,10,18)(H,11,12,14)
InChIKeyIPNDEAVKNAUCSV-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.23
Rot. Bonds4

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

3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide (PubChem CID 54885346) has the molecular formula C9H8N8OS and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
PubChem CID54885346
Molecular FormulaC9H8N8OS
Molecular Weight276.29 g/mol
Exact Mass276.05
IUPAC Name3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1sccc1-n1cnnn1
InChIInChI=1S/C9H8N8OS/c18-9(10-3-7-11-4-12-14-7)8-6(1-2-19-8)17-5-13-15-16-17/h1-2,4-5H,3H2,(H,10,18)(H,11,12,14)
InChIKeyIPNDEAVKNAUCSV-UHFFFAOYSA-N
XLogP-0.23
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.23
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-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide (CID 54885346) is 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ncn[nH]1)c1sccc1-n1cnnn1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
The InChIKey is IPNDEAVKNAUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N8OS/c18-9(10-3-7-11-4-12-14-7)8-6(1-2-19-8)17-5-13-15-16-17/h1-2,4-5H,3H2,(H,10,18)(H,11,12,14).
What are the key properties of 3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
3-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide has a molecular weight of 276.29 g/mol, XLogP of -0.23, 4 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-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 54885346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).