5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine

C12H13F3N4O — CID 146042267

IUPAC5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1cnc(C)cc1-c1nc(C)nn1CC(F)(F)F
InChIInChI=1S/C12H13F3N4O/c1-7-4-9(10(20-3)5-16-7)11-17-8(2)18-19(11)6-12(13,14)15/h4-5H,6H2,1-3H3
InChIKeyCQDOTGVRQDLCNR-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.53
Rot. Bonds3

About 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine

5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 146042267) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID146042267
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1cnc(C)cc1-c1nc(C)nn1CC(F)(F)F
InChIInChI=1S/C12H13F3N4O/c1-7-4-9(10(20-3)5-16-7)11-17-8(2)18-19(11)6-12(13,14)15/h4-5H,6H2,1-3H3
InChIKeyCQDOTGVRQDLCNR-UHFFFAOYSA-N
XLogP2.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,4-dimethylpyridine
CID 146039948
5-methoxy-2-methyl-4-[5-methyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]pyridine
CID 146040427
5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 72877686
2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
CID 146038853
2-[5-(4,6-dimethyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146040535
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 146045366
2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 146039964
2-cyclopropyl-4-(2,5-dimethyl-4-pyridinyl)-5-methoxypyridine
CID 167102230
5-methoxy-2-methylpyridin-4-amine
CID 59938080
3-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784465
5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)pyridine
CID 121389108
3-methyl-5-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131904787

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine (CID 146042267) is 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine is COc1cnc(C)cc1-c1nc(C)nn1CC(F)(F)F.
What is the InChIKey of 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is CQDOTGVRQDLCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-7-4-9(10(20-3)5-16-7)11-17-8(2)18-19(11)6-12(13,14)15/h4-5H,6H2,1-3H3.
What are the key properties of 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 286.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 146042267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).