5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine

C10H6F6N4 — CID 97057892

IUPAC5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine
SMILESNc1nn(-c2ccccc2C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C10H6F6N4/c11-9(12,13)5-3-1-2-4-6(5)20-18-7(8(17)19-20)10(14,15)16/h1-4H,(H2,17,19)
InChIKeyRAGIRZFEDSNZMY-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.89
Rot. Bonds1

About 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine

5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine (PubChem CID 97057892) has the molecular formula C10H6F6N4 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine
PubChem CID97057892
Molecular FormulaC10H6F6N4
Molecular Weight296.17 g/mol
Exact Mass296.05
IUPAC Name5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine
SMILESNc1nn(-c2ccccc2C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C10H6F6N4/c11-9(12,13)5-3-1-2-4-6(5)20-18-7(8(17)19-20)10(14,15)16/h1-4H,(H2,17,19)
InChIKeyRAGIRZFEDSNZMY-UHFFFAOYSA-N
XLogP2.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 97058265
1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 62314005
4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 55062140
2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 154463151
1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
5-tert-butyl-1-[2-(trifluoromethyl)phenyl]triazol-4-amine
CID 79507637
[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 115069424
3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141068365
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363
3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458971
6,6-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 2826583

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine?
The IUPAC name of 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine (CID 97057892) is 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine?
The canonical SMILES for 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine is Nc1nn(-c2ccccc2C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine?
The InChIKey is RAGIRZFEDSNZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N4/c11-9(12,13)5-3-1-2-4-6(5)20-18-7(8(17)19-20)10(14,15)16/h1-4H,(H2,17,19).
What are the key properties of 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine?
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine has a molecular weight of 296.17 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]triazol-4-amine is sourced from PubChem (CID 97057892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).