2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C15H9F3N6 — CID 154400025

IUPAC2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccn2cc(-c3cccc(-n4cnnc4)c3)nc2n1
InChIInChI=1S/C15H9F3N6/c16-15(17,18)13-4-5-23-7-12(21-14(23)22-13)10-2-1-3-11(6-10)24-8-19-20-9-24/h1-9H
InChIKeyJJHRQIRUHGIDAP-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.00
Rot. Bonds2

About 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 154400025) has the molecular formula C15H9F3N6 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID154400025
Molecular FormulaC15H9F3N6
Molecular Weight330.27 g/mol
Exact Mass330.08
IUPAC Name2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccn2cc(-c3cccc(-n4cnnc4)c3)nc2n1
InChIInChI=1S/C15H9F3N6/c16-15(17,18)13-4-5-23-7-12(21-14(23)22-13)10-2-1-3-11(6-10)24-8-19-20-9-24/h1-9H
InChIKeyJJHRQIRUHGIDAP-UHFFFAOYSA-N
XLogP3.00
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-amine
CID 67388301
2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione
CID 168519884
6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
CID 115404629
[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 81455778
2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 101185441
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024186
2-(3,4-difluorophenyl)imidazo[1,2-a]pyrimidin-7-amine
CID 130247056
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122285176
N-(2-fluoroethyl)-N-methyl-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 86342382
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033129
5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole
CID 56708546

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 154400025) is 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is FC(F)(F)c1ccn2cc(-c3cccc(-n4cnnc4)c3)nc2n1.
What is the InChIKey of 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is JJHRQIRUHGIDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N6/c16-15(17,18)13-4-5-23-7-12(21-14(23)22-13)10-2-1-3-11(6-10)24-8-19-20-9-24/h1-9H.
What are the key properties of 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 330.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,4-triazol-4-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 154400025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).