3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol

C22H20N4O — CID 134808910

IUPAC3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol
SMILESCc1nnc(-c2cc(-c3cccc(O)c3)ccn2)n1CCc1ccccc1
InChIInChI=1S/C22H20N4O/c1-16-24-25-22(26(16)13-11-17-6-3-2-4-7-17)21-15-19(10-12-23-21)18-8-5-9-20(27)14-18/h2-10,12,14-15,27H,11,13H2,1H3
InChIKeyOELWZAFWBSGPHL-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.26
Rot. Bonds5

About 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol

3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol (PubChem CID 134808910) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol
PubChem CID134808910
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol
SMILESCc1nnc(-c2cc(-c3cccc(O)c3)ccn2)n1CCc1ccccc1
InChIInChI=1S/C22H20N4O/c1-16-24-25-22(26(16)13-11-17-6-3-2-4-7-17)21-15-19(10-12-23-21)18-8-5-9-20(27)14-18/h2-10,12,14-15,27H,11,13H2,1H3
InChIKeyOELWZAFWBSGPHL-UHFFFAOYSA-N
XLogP4.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
3-[2-Phenyl-4-(Pyridin-4-Yl)-1h-Imidazol-5-Yl]phenol
CID 10638921
4-[(6-Phenyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol
CID 24901697
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)-5-(pyridin-3-yl)phenol
CID 136088954
3-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11188787
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
3-(2-(3-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
CID 24802609
3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
CID 25000426
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395532
3''''-(5-Pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395661

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol?
The IUPAC name of 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol (CID 134808910) is 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol.
What is the SMILES notation for 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol?
The canonical SMILES for 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol is Cc1nnc(-c2cc(-c3cccc(O)c3)ccn2)n1CCc1ccccc1.
What is the InChIKey of 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol?
The InChIKey is OELWZAFWBSGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-24-25-22(26(16)13-11-17-6-3-2-4-7-17)21-15-19(10-12-23-21)18-8-5-9-20(27)14-18/h2-10,12,14-15,27H,11,13H2,1H3.
What are the key properties of 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol?
3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol has a molecular weight of 356.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenol is sourced from PubChem (CID 134808910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).