5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C18H14N4O — CID 661730

IUPAC5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1
InChIInChI=1S/C18H14N4O/c1-23-15-9-7-13(8-10-15)16-11-17(14-5-3-2-4-6-14)22-18(21-16)19-12-20-22/h2-12H,1H3
InChIKeyLORDMKGLLKRCJP-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.47
Rot. Bonds3

About 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 661730) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID661730
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1
InChIInChI=1S/C18H14N4O/c1-23-15-9-7-13(8-10-15)16-11-17(14-5-3-2-4-6-14)22-18(21-16)19-12-20-22/h2-12H,1H3
InChIKeyLORDMKGLLKRCJP-UHFFFAOYSA-N
XLogP3.47
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
Ibrutinib N-desacryloyl impurity
CID 58223272
1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-[trans-4-(4-Methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-
CID 6539953
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 22346757
Pci 29732
CID 22347110
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolopyridazine 1
CID 6539361

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 661730) is 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LORDMKGLLKRCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-15-9-7-13(8-10-15)16-11-17(14-5-3-2-4-6-14)22-18(21-16)19-12-20-22/h2-12H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 302.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 661730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).