5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide

C13H10BrF3N4S — CID 134541177

IUPAC5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide
SMILESBr.Nc1nnc(-c2cccs2)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H9F3N4S.BrH/c14-13(15,16)8-4-1-2-5-9(8)20-11(18-19-12(20)17)10-6-3-7-21-10;/h1-7H,(H2,17,19);1H
InChIKeyFXQGDQOXNQRKCC-UHFFFAOYSA-N
MW391.22 g/mol
LogP4.17
Rot. Bonds2

About 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide

5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide (PubChem CID 134541177) has the molecular formula C13H10BrF3N4S and a molecular weight of 391.22 g/mol. Its IUPAC name is 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide.

Molecular Properties

Compound Name5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide
PubChem CID134541177
Molecular FormulaC13H10BrF3N4S
Molecular Weight391.22 g/mol
Exact Mass389.98
IUPAC Name5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide
SMILESBr.Nc1nnc(-c2cccs2)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H9F3N4S.BrH/c14-13(15,16)8-4-1-2-5-9(8)20-11(18-19-12(20)17)10-6-3-7-21-10;/h1-7H,(H2,17,19);1H
InChIKeyFXQGDQOXNQRKCC-UHFFFAOYSA-N
XLogP4.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-3-thiophen-2-yl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 7649306
ethyl 3-(3-amino-5-thiophen-2-yl-1,2,4-triazol-4-yl)-4-methoxybenzoate
CID 134541187
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
4-propan-2-yl-3-thiophen-2-yl-5-(trifluoromethyl)-1,2,4-triazole
CID 154543730
4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 62502729
2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 154463151
5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061325
3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2817032
1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
4-(2-methoxyphenyl)-3-phenylmethoxy-5-thiophen-2-yl-1,2,4-triazole
CID 118541876
1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 62314005
3-(difluoromethylsulfanyl)-4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazole
CID 973046

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide?
The IUPAC name of 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide (CID 134541177) is 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide.
What is the SMILES notation for 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide?
The canonical SMILES for 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide is Br.Nc1nnc(-c2cccs2)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide?
The InChIKey is FXQGDQOXNQRKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S.BrH/c14-13(15,16)8-4-1-2-5-9(8)20-11(18-19-12(20)17)10-6-3-7-21-10;/h1-7H,(H2,17,19);1H.
What are the key properties of 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide?
5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide has a molecular weight of 391.22 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;hydrobromide is sourced from PubChem (CID 134541177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).