5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C22H13F3N4 — CID 17198433

IUPAC5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C22H13F3N4/c23-22(24,25)20-27-21-26-18(17-11-10-14-6-4-5-9-16(14)12-17)13-19(29(21)28-20)15-7-2-1-3-8-15/h1-13H
InChIKeyPGWSQPYFQWOTFR-UHFFFAOYSA-N
MW390.37 g/mol
LogP5.63
Rot. Bonds2

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

5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 17198433) has the molecular formula C22H13F3N4 and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID17198433
Molecular FormulaC22H13F3N4
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C22H13F3N4/c23-22(24,25)20-27-21-26-18(17-11-10-14-6-4-5-9-16(14)12-17)13-19(29(21)28-20)15-7-2-1-3-8-15/h1-13H
InChIKeyPGWSQPYFQWOTFR-UHFFFAOYSA-N
XLogP5.63
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.37
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-naphthalen-2-yl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
CID 17198435
2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 625431
8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
CID 122503020
2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
CID 112693753
7-pyridin-2-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491471
2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
CID 88558011
N-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-2-phenylquinoline-4-carboxamide
CID 167948033
7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17036245
2-butylsulfanyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135300341
3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17026129
5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 11428380
5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 9464099

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 17198433) is 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PGWSQPYFQWOTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4/c23-22(24,25)20-27-21-26-18(17-11-10-14-6-4-5-9-16(14)12-17)13-19(29(21)28-20)15-7-2-1-3-8-15/h1-13H.
What are the key properties of 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 390.37 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17198433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).