3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine

C21H17FN4O — CID 3586475

IUPAC3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCCOc1ccc(-c2nnc(-c3cccnc3)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H17FN4O/c1-2-27-19-11-5-15(6-12-19)20-24-25-21(16-4-3-13-23-14-16)26(20)18-9-7-17(22)8-10-18/h3-14H,2H2,1H3
InChIKeyURZDGCBBZINKQY-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.53
Rot. Bonds5

About 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine

3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 3586475) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID3586475
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILESCCOc1ccc(-c2nnc(-c3cccnc3)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H17FN4O/c1-2-27-19-11-5-15(6-12-19)20-24-25-21(16-4-3-13-23-14-16)26(20)18-9-7-17(22)8-10-18/h3-14H,2H2,1H3
InChIKeyURZDGCBBZINKQY-UHFFFAOYSA-N
XLogP4.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 23971306
3-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 99156678
3-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
CID 2060106
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 16637142
3-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266205
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
N-(4-ethoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1394369
(2S)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 40940330
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266244
1-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2410408
6-(4-ethoxyphenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 934396
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 112775135

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine (CID 3586475) is 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine is CCOc1ccc(-c2nnc(-c3cccnc3)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is URZDGCBBZINKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-2-27-19-11-5-15(6-12-19)20-24-25-21(16-4-3-13-23-14-16)26(20)18-9-7-17(22)8-10-18/h3-14H,2H2,1H3.
What are the key properties of 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine?
3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 360.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 3586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).