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

C9H8N8OS — CID 78928244

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2sccc2-n2cnnn2)n[nH]1
InChIInChI=1S/C9H8N8OS/c1-5-11-9(14-13-5)12-8(18)7-6(2-3-19-7)17-4-10-15-16-17/h2-4H,1H3,(H2,11,12,13,14,18)
InChIKeySXSWQVOVSWPPAX-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.40
Rot. Bonds3

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

N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 78928244) has the molecular formula C9H8N8OS and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID78928244
Molecular FormulaC9H8N8OS
Molecular Weight276.29 g/mol
Exact Mass276.05
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2sccc2-n2cnnn2)n[nH]1
InChIInChI=1S/C9H8N8OS/c1-5-11-9(14-13-5)12-8(18)7-6(2-3-19-7)17-4-10-15-16-17/h2-4H,1H3,(H2,11,12,13,14,18)
InChIKeySXSWQVOVSWPPAX-UHFFFAOYSA-N
XLogP0.40
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 78928244) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is Cc1nc(NC(=O)c2sccc2-n2cnnn2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is SXSWQVOVSWPPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N8OS/c1-5-11-9(14-13-5)12-8(18)7-6(2-3-19-7)17-4-10-15-16-17/h2-4H,1H3,(H2,11,12,13,14,18).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78928244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).