5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine

C20H24N4O3 — CID 70331922

IUPAC5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1CC
InChIInChI=1S/C20H24N4O3/c1-5-14-11-15(7-9-17(14)27-6-2)20-23-22-18(13-25-3)24(20)16-8-10-19(26-4)21-12-16/h7-12H,5-6,13H2,1-4H3
InChIKeyMKELBJNDGKHTBE-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.45
Rot. Bonds8

About 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine

5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine (PubChem CID 70331922) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
PubChem CID70331922
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1CC
InChIInChI=1S/C20H24N4O3/c1-5-14-11-15(7-9-17(14)27-6-2)20-23-22-18(13-25-3)24(20)16-8-10-19(26-4)21-12-16/h7-12H,5-6,13H2,1-4H3
InChIKeyMKELBJNDGKHTBE-UHFFFAOYSA-N
XLogP3.45
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(3-chloro-4-ethoxyphenyl)-5-(ethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 11383683
3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
CID 11292749
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
1-[(2-chloro-4-fluorophenyl)methyl]-4-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]piperazine
CID 155565553
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
2-methoxy-5-[3-(2-methoxy-4-propan-2-yloxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]pyridine
CID 11384649
5-(4-ethoxy-3-ethylphenyl)-N-methylpyridin-2-amine
CID 143670067
3-bromo-6-[4-(4-fluoro-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-8-methylimidazo[1,2-a]pyridine
CID 171799415
5-[3-[(4R)-3-(2-chloro-3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 147490798
ethyl (2R)-2-[[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate
CID 93117495
1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 24694826

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine (CID 70331922) is 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine is CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1CC.
What is the InChIKey of 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine?
The InChIKey is MKELBJNDGKHTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-14-11-15(7-9-17(14)27-6-2)20-23-22-18(13-25-3)24(20)16-8-10-19(26-4)21-12-16/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine?
5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine has a molecular weight of 368.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethoxy-3-ethylphenyl)-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 70331922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).