2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol

C16H15N3O — CID 895860

IUPAC2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCCc1nc(-c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C16H15N3O/c1-2-15-17-16(13-10-6-7-11-14(13)20)19(18-15)12-8-4-3-5-9-12/h3-11,20H,2H2,1H3
InChIKeyHHPYFSKDDVZFBC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.20
Rot. Bonds3

About 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol

2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol (PubChem CID 895860) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol
PubChem CID895860
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCCc1nc(-c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C16H15N3O/c1-2-15-17-16(13-10-6-7-11-14(13)20)19(18-15)12-8-4-3-5-9-12/h3-11,20H,2H2,1H3
InChIKeyHHPYFSKDDVZFBC-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
2-{3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
CID 135437607
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
CID 443276
2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 2305193
3-[3-(4-Tert-butylphenyl)-5-(dimethylamino)-1,2,4-triazol-4-yl]phenol
CID 10308746
2-(3-(biphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl)phenol
CID 10958392
3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 11957735
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-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 46226512
[5-(2-Hydroxy-phenyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid methyl ester
CID 650631
3-[3-(Dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
CID 11537712

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol (CID 895860) is 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol is CCc1nc(-c2ccccc2O)n(-c2ccccc2)n1.
What is the InChIKey of 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is HHPYFSKDDVZFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-15-17-16(13-10-6-7-11-14(13)20)19(18-15)12-8-4-3-5-9-12/h3-11,20H,2H2,1H3.
What are the key properties of 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 265.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-phenyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 895860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).