5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine

C8H6F3N5 — CID 114908388

IUPAC5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)4-1-2-5(13-3-4)6-14-7(12)16-15-6/h1-3H,(H3,12,14,15,16)
InChIKeyJFVQFBQTONSVLZ-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.47
Rot. Bonds1

About 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine

5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine (PubChem CID 114908388) has the molecular formula C8H6F3N5 and a molecular weight of 229.16 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine
PubChem CID114908388
Molecular FormulaC8H6F3N5
Molecular Weight229.16 g/mol
Exact Mass229.06
IUPAC Name5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)4-1-2-5(13-3-4)6-14-7(12)16-15-6/h1-3H,(H3,12,14,15,16)
InChIKeyJFVQFBQTONSVLZ-UHFFFAOYSA-N
XLogP1.47
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine
CID 114909132
4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 114909551
4-nitro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
CID 135429569
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
CID 114909040
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazole-3-thione
CID 114909096
2-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine
CID 114909106
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 143209795
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine
CID 114909080
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112

Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine (CID 114908388) is 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is JFVQFBQTONSVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)4-1-2-5(13-3-4)6-14-7(12)16-15-6/h1-3H,(H3,12,14,15,16).
What are the key properties of 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine?
5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 229.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 114908388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).