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

C14H11N3O — CID 677535

IUPAC2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H11N3O/c18-12-9-5-4-8-11(12)14-15-13(16-17-14)10-6-2-1-3-7-10/h1-9,18H,(H,15,16,17)
InChIKeyYTGNKUSFDPGOIS-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.84
Rot. Bonds2

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

2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol (PubChem CID 677535) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol.

Molecular Properties

Compound Name2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
PubChem CID677535
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H11N3O/c18-12-9-5-4-8-11(12)14-15-13(16-17-14)10-6-2-1-3-7-10/h1-9,18H,(H,15,16,17)
InChIKeyYTGNKUSFDPGOIS-UHFFFAOYSA-N
XLogP2.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The IUPAC name of 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol (CID 677535) is 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol.
What is the SMILES notation for 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The canonical SMILES for 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol is Oc1ccccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The InChIKey is YTGNKUSFDPGOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-12-9-5-4-8-11(12)14-15-13(16-17-14)10-6-2-1-3-7-10/h1-9,18H,(H,15,16,17).
What are the key properties of 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol has a molecular weight of 237.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol is sourced from PubChem (CID 677535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).