2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol

C17H12N4O — CID 135727318

IUPAC2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C17H12N4O/c22-16-9-5-4-8-13(16)15-10-14(12-6-2-1-3-7-12)20-17-18-11-19-21(15)17/h1-11,22H
InChIKeyJZMJRDJCAKZBBM-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.16
Rot. Bonds2

About 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol

2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol (PubChem CID 135727318) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol.

Molecular Properties

Compound Name2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
PubChem CID135727318
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C17H12N4O/c22-16-9-5-4-8-13(16)15-10-14(12-6-2-1-3-7-12)20-17-18-11-19-21(15)17/h1-11,22H
InChIKeyJZMJRDJCAKZBBM-UHFFFAOYSA-N
XLogP3.16
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Phtpp
CID 11201035
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476968
4-[3-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135409570
4-[6-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
7-{2-[(4-Fluorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3844416
2-(2-Amino-6-phenylpyrimidin-4-yl)phenol
CID 359838

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The IUPAC name of 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol (CID 135727318) is 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol.
What is the SMILES notation for 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The canonical SMILES for 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol is Oc1ccccc1-c1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The InChIKey is JZMJRDJCAKZBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-16-9-5-4-8-13(16)15-10-14(12-6-2-1-3-7-12)20-17-18-11-19-21(15)17/h1-11,22H.
What are the key properties of 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol has a molecular weight of 288.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol is sourced from PubChem (CID 135727318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).