7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H12F2N4 — CID 17036237

IUPAC7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(-c3cc(F)cc(F)c3)n3ncnc3n2)cc1
InChIInChI=1S/C18H12F2N4/c1-11-2-4-12(5-3-11)16-9-17(24-18(23-16)21-10-22-24)13-6-14(19)8-15(20)7-13/h2-10H,1H3
InChIKeyBUAGFZOAEKKPEA-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.04
Rot. Bonds2

About 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 17036237) has the molecular formula C18H12F2N4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID17036237
Molecular FormulaC18H12F2N4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(-c3cc(F)cc(F)c3)n3ncnc3n2)cc1
InChIInChI=1S/C18H12F2N4/c1-11-2-4-12(5-3-11)16-9-17(24-18(23-16)21-10-22-24)13-6-14(19)8-15(20)7-13/h2-10H,1H3
InChIKeyBUAGFZOAEKKPEA-UHFFFAOYSA-N
XLogP4.04
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Decoglurant
CID 71533696
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
3MB-PP1
CID 24865390
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 17036237) is 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(-c2cc(-c3cc(F)cc(F)c3)n3ncnc3n2)cc1.
What is the InChIKey of 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BUAGFZOAEKKPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4/c1-11-2-4-12(5-3-11)16-9-17(24-18(23-16)21-10-22-24)13-6-14(19)8-15(20)7-13/h2-10H,1H3.
What are the key properties of 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 322.32 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17036237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).