3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine

C18H18F3N5O3 — CID 11292749

IUPAC3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
SMILESCCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)nc1C(F)(F)F
InChIInChI=1S/C18H18F3N5O3/c1-4-29-13-7-6-12(23-16(13)18(19,20)21)17-25-24-14(10-27-2)26(17)11-5-8-15(28-3)22-9-11/h5-9H,4,10H2,1-3H3
InChIKeyHVEVZEZKYPZCKC-UHFFFAOYSA-N
MW409.37 g/mol
LogP3.30
Rot. Bonds7

About 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine

3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine (PubChem CID 11292749) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
PubChem CID11292749
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC Name3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
SMILESCCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)nc1C(F)(F)F
InChIInChI=1S/C18H18F3N5O3/c1-4-29-13-7-6-12(23-16(13)18(19,20)21)17-25-24-14(10-27-2)26(17)11-5-8-15(28-3)22-9-11/h5-9H,4,10H2,1-3H3
InChIKeyHVEVZEZKYPZCKC-UHFFFAOYSA-N
XLogP3.30
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 70331922
5-[3-(3-chloro-4-ethoxyphenyl)-5-(ethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 11383683
2-(4-isocyano-2-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 58997476
2-methoxy-5-[3-(2-methoxyethoxymethyl)-5-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]-1,2,4-triazol-4-yl]pyridine
CID 11419819
2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 69248985
3-(1,1-difluoroethyl)-5-fluoro-1-[1-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]azetidin-3-yl]indole
CID 162608392
1-[(2-chloro-4-fluorophenyl)methyl]-4-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]piperazine
CID 155565553
2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine
CID 11384649
5-[3-[(4R)-3-(2-chloro-3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 147490798
3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 10968150
3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 53251127
2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316830

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine (CID 11292749) is 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine is CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)nc1C(F)(F)F.
What is the InChIKey of 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is HVEVZEZKYPZCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3/c1-4-29-13-7-6-12(23-16(13)18(19,20)21)17-25-24-14(10-27-2)26(17)11-5-8-15(28-3)22-9-11/h5-9H,4,10H2,1-3H3.
What are the key properties of 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine?
3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 409.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 11292749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).