4-[(4,5-diphenyltriazol-1-yl)methyl]phenol

C21H17N3O — CID 162670143

IUPAC4-[(4,5-diphenyltriazol-1-yl)methyl]phenol
SMILESOc1ccc(Cn2nnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c25-19-13-11-16(12-14-19)15-24-21(18-9-5-2-6-10-18)20(22-23-24)17-7-3-1-4-8-17/h1-14,25H,15H2
InChIKeyGEDDXXNGYDOIQL-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.37
Rot. Bonds4

About 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol

4-[(4,5-diphenyltriazol-1-yl)methyl]phenol (PubChem CID 162670143) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4,5-diphenyltriazol-1-yl)methyl]phenol
PubChem CID162670143
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name4-[(4,5-diphenyltriazol-1-yl)methyl]phenol
SMILESOc1ccc(Cn2nnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c25-19-13-11-16(12-14-19)15-24-21(18-9-5-2-6-10-18)20(22-23-24)17-7-3-1-4-8-17/h1-14,25H,15H2
InChIKeyGEDDXXNGYDOIQL-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol?
The IUPAC name of 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol (CID 162670143) is 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol?
The canonical SMILES for 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol is Oc1ccc(Cn2nnc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol?
The InChIKey is GEDDXXNGYDOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-19-13-11-16(12-14-19)15-24-21(18-9-5-2-6-10-18)20(22-23-24)17-7-3-1-4-8-17/h1-14,25H,15H2.
What are the key properties of 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol?
4-[(4,5-diphenyltriazol-1-yl)methyl]phenol has a molecular weight of 327.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-diphenyltriazol-1-yl)methyl]phenol is sourced from PubChem (CID 162670143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).