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

C15H13N3O — CID 2305193

IUPAC2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCc1nc(-c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C15H13N3O/c1-11-16-15(13-9-5-6-10-14(13)19)18(17-11)12-7-3-2-4-8-12/h2-10,19H,1H3
InChIKeyNKTIQWDZSVQQBM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.95
Rot. Bonds2

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

2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol (PubChem CID 2305193) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
PubChem CID2305193
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCc1nc(-c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C15H13N3O/c1-11-16-15(13-9-5-6-10-14(13)19)18(17-11)12-7-3-2-4-8-12/h2-10,19H,1H3
InChIKeyNKTIQWDZSVQQBM-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol (CID 2305193) is 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol is Cc1nc(-c2ccccc2O)n(-c2ccccc2)n1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is NKTIQWDZSVQQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-16-15(13-9-5-6-10-14(13)19)18(17-11)12-7-3-2-4-8-12/h2-10,19H,1H3.
What are the key properties of 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 251.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 2305193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).