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

C17H17N3O — CID 877391

IUPAC2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol
SMILESCCCc1nc(-c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C17H17N3O/c1-2-8-16-18-17(14-11-6-7-12-15(14)21)20(19-16)13-9-4-3-5-10-13/h3-7,9-12,21H,2,8H2,1H3
InChIKeyKHKRMENPIRALFW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.59
Rot. Bonds4

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

2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol (PubChem CID 877391) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol
PubChem CID877391
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol
SMILESCCCc1nc(-c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C17H17N3O/c1-2-8-16-18-17(14-11-6-7-12-15(14)21)20(19-16)13-9-4-3-5-10-13/h3-7,9-12,21H,2,8H2,1H3
InChIKeyKHKRMENPIRALFW-UHFFFAOYSA-N
XLogP3.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol (CID 877391) is 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol is CCCc1nc(-c2ccccc2O)n(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is KHKRMENPIRALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-8-16-18-17(14-11-6-7-12-15(14)21)20(19-16)13-9-4-3-5-10-13/h3-7,9-12,21H,2,8H2,1H3.
What are the key properties of 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol?
2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 279.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 877391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).