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

C19H15F3N4O — CID 135468434

IUPAC7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccccc3)Nc3nc(C(F)(F)F)nn32)cc1
InChIInChI=1S/C19H15F3N4O/c1-27-14-9-7-13(8-10-14)16-11-15(12-5-3-2-4-6-12)23-18-24-17(19(20,21)22)25-26(16)18/h2-11,16H,1H3,(H,23,24,25)
InChIKeyFAUGKOZFBZCHFQ-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.36
Rot. Bonds3

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

7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135468434) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID135468434
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccccc3)Nc3nc(C(F)(F)F)nn32)cc1
InChIInChI=1S/C19H15F3N4O/c1-27-14-9-7-13(8-10-14)16-11-15(12-5-3-2-4-6-12)23-18-24-17(19(20,21)22)25-26(16)18/h2-11,16H,1H3,(H,23,24,25)
InChIKeyFAUGKOZFBZCHFQ-UHFFFAOYSA-N
XLogP4.36
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135468434) is 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2C=C(c3ccccc3)Nc3nc(C(F)(F)F)nn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FAUGKOZFBZCHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-27-14-9-7-13(8-10-14)16-11-15(12-5-3-2-4-6-12)23-18-24-17(19(20,21)22)25-26(16)18/h2-11,16H,1H3,(H,23,24,25).
What are the key properties of 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 372.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135468434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).