5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine

C13H15F3N4 — CID 146039948

IUPAC5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine
SMILESCCc1nc(-c2cnc(C)cc2C)n(CC(F)(F)F)n1
InChIInChI=1S/C13H15F3N4/c1-4-11-18-12(20(19-11)7-13(14,15)16)10-6-17-9(3)5-8(10)2/h5-6H,4,7H2,1-3H3
InChIKeyZZUQXGVEVXQWCP-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.08
Rot. Bonds3

About 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine

5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine (PubChem CID 146039948) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine.

Molecular Properties

Compound Name5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine
PubChem CID146039948
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine
SMILESCCc1nc(-c2cnc(C)cc2C)n(CC(F)(F)F)n1
InChIInChI=1S/C13H15F3N4/c1-4-11-18-12(20(19-11)7-13(14,15)16)10-6-17-9(3)5-8(10)2/h5-6H,4,7H2,1-3H3
InChIKeyZZUQXGVEVXQWCP-UHFFFAOYSA-N
XLogP3.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4,6-dimethyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146040535
5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
CID 146042267
5-[2-(2-ethoxyethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine
CID 146039380
6-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4-methyl-1,4-benzoxazin-3-one
CID 131900829
5-(4-chloro-1-methylpyrazol-3-yl)-3-(cyclopropylmethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 72896173
3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 66509429
4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
CID 169218060
(2R)-1-[3-ethyl-5-(4-methyl-2-phenylpyrimidin-5-yl)-1,2,4-triazol-1-yl]butan-2-ol
CID 97452196
2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
CID 146038853
3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 126670967
4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine
CID 131115505
5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 170379612

Frequently Asked Questions

What is the IUPAC name of 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine?
The IUPAC name of 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine (CID 146039948) is 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine.
What is the SMILES notation for 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine?
The canonical SMILES for 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine is CCc1nc(-c2cnc(C)cc2C)n(CC(F)(F)F)n1.
What is the InChIKey of 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine?
The InChIKey is ZZUQXGVEVXQWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-4-11-18-12(20(19-11)7-13(14,15)16)10-6-17-9(3)5-8(10)2/h5-6H,4,7H2,1-3H3.
What are the key properties of 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine?
5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine has a molecular weight of 284.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine is sourced from PubChem (CID 146039948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).