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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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).