4-[1-(4-methylphenyl)triazol-4-yl]phenol

C15H13N3O — CID 160861488

IUPAC4-[1-(4-methylphenyl)triazol-4-yl]phenol
SMILESCc1ccc(-n2cc(-c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C15H13N3O/c1-11-2-6-13(7-3-11)18-10-15(16-17-18)12-4-8-14(19)9-5-12/h2-10,19H,1H3
InChIKeySKNYBIJHTNHYFV-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.95
Rot. Bonds2

About 4-[1-(4-methylphenyl)triazol-4-yl]phenol

4-[1-(4-methylphenyl)triazol-4-yl]phenol (PubChem CID 160861488) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)triazol-4-yl]phenol
PubChem CID160861488
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-[1-(4-methylphenyl)triazol-4-yl]phenol
SMILESCc1ccc(-n2cc(-c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C15H13N3O/c1-11-2-6-13(7-3-11)18-10-15(16-17-18)12-4-8-14(19)9-5-12/h2-10,19H,1H3
InChIKeySKNYBIJHTNHYFV-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

Analyze 4-[1-(4-methylphenyl)triazol-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-ethylphenyl)triazol-1-yl]phenol
CID 122501193
1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
CID 134686857
4-[1-(4-hydroxyphenyl)triazol-4-yl]benzoic acid
CID 82367374
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
4-[1-(4-methylphenyl)triazol-4-yl]benzonitrile
CID 134864603
3-[1-(4-hydroxyphenyl)triazol-4-yl]phenol
CID 44585930
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
4-(4-pyridin-3-yltriazol-1-yl)phenol
CID 50908754
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
4-[1-(3-propan-2-ylphenyl)triazol-4-yl]phenol
CID 156521663
[4-[1-(4-methylphenyl)triazol-4-yl]phenyl] sulfamate
CID 160971496
methyl 4-[1-(4-methoxycarbonylphenyl)triazol-4-yl]benzoate
CID 102197872

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)triazol-4-yl]phenol?
The IUPAC name of 4-[1-(4-methylphenyl)triazol-4-yl]phenol (CID 160861488) is 4-[1-(4-methylphenyl)triazol-4-yl]phenol.
What is the SMILES notation for 4-[1-(4-methylphenyl)triazol-4-yl]phenol?
The canonical SMILES for 4-[1-(4-methylphenyl)triazol-4-yl]phenol is Cc1ccc(-n2cc(-c3ccc(O)cc3)nn2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)triazol-4-yl]phenol?
The InChIKey is SKNYBIJHTNHYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-2-6-13(7-3-11)18-10-15(16-17-18)12-4-8-14(19)9-5-12/h2-10,19H,1H3.
What are the key properties of 4-[1-(4-methylphenyl)triazol-4-yl]phenol?
4-[1-(4-methylphenyl)triazol-4-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 4-[1-(4-methylphenyl)triazol-4-yl]phenol is sourced from PubChem (CID 160861488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).