3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine

C27H22N4 — CID 59266244

IUPAC3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
SMILESCCc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C27H22N4/c1-2-20-10-12-23(13-11-20)27-30-29-26(22-7-4-3-5-8-22)31(27)25-16-14-21(15-17-25)24-9-6-18-28-19-24/h3-19H,2H2,1H3
InChIKeyOHZWTDZEISBLHR-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.23
Rot. Bonds5

About 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine

3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine (PubChem CID 59266244) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
PubChem CID59266244
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC Name3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
SMILESCCc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C27H22N4/c1-2-20-10-12-23(13-11-20)27-30-29-26(22-7-4-3-5-8-22)31(27)25-16-14-21(15-17-25)24-9-6-18-28-19-24/h3-19H,2H2,1H3
InChIKeyOHZWTDZEISBLHR-UHFFFAOYSA-N
XLogP6.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266205
3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 3586475
N,N-diethyl-2-[[4-(4-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3214558
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 157458511
3-[4-[3,5-bis(3-phenyl-4-pyridin-3-ylphenyl)-1,2,4-triazol-4-yl]-2-phenylphenyl]pyridine
CID 118483563
2-ethyl-1-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 153433793
3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 1156631
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554561
4-[4-[4,5-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-1,2,4-triazol-3-yl]phenyl]-N,N-diphenylaniline
CID 102173771
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine (CID 59266244) is 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine is CCc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine?
The InChIKey is OHZWTDZEISBLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4/c1-2-20-10-12-23(13-11-20)27-30-29-26(22-7-4-3-5-8-22)31(27)25-16-14-21(15-17-25)24-9-6-18-28-19-24/h3-19H,2H2,1H3.
What are the key properties of 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine?
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine has a molecular weight of 402.50 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine is sourced from PubChem (CID 59266244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).