N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide

C7H7BrN4OS — CID 2797471

IUPACN-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide
SMILESBr.O=C(Nn1cnnc1)c1cccs1
InChIInChI=1S/C7H6N4OS.BrH/c12-7(6-2-1-3-13-6)10-11-4-8-9-5-11;/h1-5H,(H,10,12);1H
InChIKeyHGCCHYINLMOFNS-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.30
Rot. Bonds2

About N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide

N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide (PubChem CID 2797471) has the molecular formula C7H7BrN4OS and a molecular weight of 275.13 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide
PubChem CID2797471
Molecular FormulaC7H7BrN4OS
Molecular Weight275.13 g/mol
Exact Mass273.95
IUPAC NameN-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide
SMILESBr.O=C(Nn1cnnc1)c1cccs1
InChIInChI=1S/C7H6N4OS.BrH/c12-7(6-2-1-3-13-6)10-11-4-8-9-5-11;/h1-5H,(H,10,12);1H
InChIKeyHGCCHYINLMOFNS-UHFFFAOYSA-N
XLogP1.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide?
The IUPAC name of N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide (CID 2797471) is N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide is Br.O=C(Nn1cnnc1)c1cccs1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide?
The InChIKey is HGCCHYINLMOFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS.BrH/c12-7(6-2-1-3-13-6)10-11-4-8-9-5-11;/h1-5H,(H,10,12);1H.
What are the key properties of N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide?
N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide has a molecular weight of 275.13 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide is sourced from PubChem (CID 2797471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).