2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium

C19H15F3N4O- — CID 101166812

IUPAC—
SMILESCC(C)C1=NC2=C([O-])N(c3ccc(C(F)(F)F)cc3)[N]N2c2ccccc21
InChIInChI=1S/C19H16F3N4O/c1-11(2)16-14-5-3-4-6-15(14)26-17(23-16)18(27)25(24-26)13-9-7-12(8-10-13)19(20,21)22/h3-11,27H,1-2H3/p-1
InChIKeyRRBFOUMDJGVLBR-UHFFFAOYSA-M
MW372.35 g/mol
LogP3.41
Rot. Bonds2

About 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium

2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium (PubChem CID 101166812) has the molecular formula C19H15F3N4O- and a molecular weight of 372.35 g/mol.

Molecular Properties

Compound Name2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium
PubChem CID101166812
Molecular FormulaC19H15F3N4O-
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name—
SMILESCC(C)C1=NC2=C([O-])N(c3ccc(C(F)(F)F)cc3)[N]N2c2ccccc21
InChIInChI=1S/C19H16F3N4O/c1-11(2)16-14-5-3-4-6-15(14)26-17(23-16)18(27)25(24-26)13-9-7-12(8-10-13)19(20,21)22/h3-11,27H,1-2H3/p-1
InChIKeyRRBFOUMDJGVLBR-UHFFFAOYSA-M
XLogP3.41
TPSA56.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium 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 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium?
The IUPAC name of 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium (CID 101166812) is not available.
What is the SMILES notation for 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium?
The canonical SMILES for 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium is CC(C)C1=NC2=C([O-])N(c3ccc(C(F)(F)F)cc3)[N]N2c2ccccc21.
What is the InChIKey of 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium?
The InChIKey is RRBFOUMDJGVLBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16F3N4O/c1-11(2)16-14-5-3-4-6-15(14)26-17(23-16)18(27)25(24-26)13-9-7-12(8-10-13)19(20,21)22/h3-11,27H,1-2H3/p-1.
What are the key properties of 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium?
2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium has a molecular weight of 372.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(Trifluoromethyl)phenyl]-3-oxylato-5-isopropyl-2H-[1,2,3]triazolo[1,5-a]quinazoline-10-ium is sourced from PubChem (CID 101166812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).