4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol

C14H12N4O — CID 52942562

IUPAC4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol
SMILESOc1ccc(-c2cn(Cc3cccnc3)nn2)cc1
InChIInChI=1S/C14H12N4O/c19-13-5-3-12(4-6-13)14-10-18(17-16-14)9-11-2-1-7-15-8-11/h1-8,10,19H,9H2
InChIKeyONSHSXLMZJSKEJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.09
Rot. Bonds3

About 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol

4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol (PubChem CID 52942562) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol
PubChem CID52942562
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol
SMILESOc1ccc(-c2cn(Cc3cccnc3)nn2)cc1
InChIInChI=1S/C14H12N4O/c19-13-5-3-12(4-6-13)14-10-18(17-16-14)9-11-2-1-7-15-8-11/h1-8,10,19H,9H2
InChIKeyONSHSXLMZJSKEJ-UHFFFAOYSA-N
XLogP2.09
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(pyridin-3-ylmethyl)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

3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
4-[4-(Quinolin-2-Yl)-1h-1,2,3-Triazol-1-Yl]phenol
CID 90684376
[4-[1-(3,5-Difluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 151462704
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
4-Quinoxalin-2-ylphenol
CID 787366
4-(Pyridin-2-ylmethyl)phenol
CID 603599
4-(4-Benzyltriazol-1-yl)phenol
CID 52947733
3-(4-Hydroxyphenyl-1,2,3-triazol-1-yl)quinuclidine
CID 122553341
4-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)phenol
CID 135470346
[4-[1-(3-Fluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 156521655
3-[1-(3-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]phenol
CID 16721115
2-[(4-Benzyltriazol-1-yl)methyl]phenol
CID 11437030

Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol?
The IUPAC name of 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol (CID 52942562) is 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol.
What is the SMILES notation for 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol?
The canonical SMILES for 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol is Oc1ccc(-c2cn(Cc3cccnc3)nn2)cc1.
What is the InChIKey of 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol?
The InChIKey is ONSHSXLMZJSKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-13-5-3-12(4-6-13)14-10-18(17-16-14)9-11-2-1-7-15-8-11/h1-8,10,19H,9H2.
What are the key properties of 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol?
4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol has a molecular weight of 252.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridin-3-ylmethyl)triazol-4-yl]phenol is sourced from PubChem (CID 52942562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).