4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol

C18H14N4O — CID 24901697

IUPAC4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C18H14N4O/c23-16-8-6-13(7-9-16)10-17-20-21-18-19-11-15(12-22(17)18)14-4-2-1-3-5-14/h1-9,11-12,23H,10H2
InChIKeyPDWRZBSKQUYRCV-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.09
Rot. Bonds3

About 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol

4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol (PubChem CID 24901697) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol
PubChem CID24901697
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C18H14N4O/c23-16-8-6-13(7-9-16)10-17-20-21-18-19-11-15(12-22(17)18)14-4-2-1-3-5-14/h1-9,11-12,23H,10H2
InChIKeyPDWRZBSKQUYRCV-UHFFFAOYSA-N
XLogP3.09
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]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-[5-(4-Hydroxyphenyl)pyrimidin-2-yl]phenol
CID 621973
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
4-(3-Bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 52947893
4-[6-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
4-(7-Amino-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11574885
4-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 11661290
4-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenol
CID 44381185
4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 44381238
4-[7-Amino-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol
CID 135470411

Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol?
The IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol (CID 24901697) is 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol is Oc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1.
What is the InChIKey of 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol?
The InChIKey is PDWRZBSKQUYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-16-8-6-13(7-9-16)10-17-20-21-18-19-11-15(12-22(17)18)14-4-2-1-3-5-14/h1-9,11-12,23H,10H2.
What are the key properties of 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol?
4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol has a molecular weight of 302.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol is sourced from PubChem (CID 24901697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).