1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole

C14H11F3N4 — CID 138475211

IUPAC1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole
SMILESCc1cc(CC(F)(F)F)ncc1-n1nnc2ccccc21
InChIInChI=1S/C14H11F3N4/c1-9-6-10(7-14(15,16)17)18-8-13(9)21-12-5-3-2-4-11(12)19-20-21/h2-6,8H,7H2,1H3
InChIKeyRZVZTTILHAOWBF-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.23
Rot. Bonds2

About 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole

1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole (PubChem CID 138475211) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole.

Molecular Properties

Compound Name1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole
PubChem CID138475211
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole
SMILESCc1cc(CC(F)(F)F)ncc1-n1nnc2ccccc21
InChIInChI=1S/C14H11F3N4/c1-9-6-10(7-14(15,16)17)18-8-13(9)21-12-5-3-2-4-11(12)19-20-21/h2-6,8H,7H2,1H3
InChIKeyRZVZTTILHAOWBF-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole 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 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole?
The IUPAC name of 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole (CID 138475211) is 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole.
What is the SMILES notation for 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole?
The canonical SMILES for 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole is Cc1cc(CC(F)(F)F)ncc1-n1nnc2ccccc21.
What is the InChIKey of 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole?
The InChIKey is RZVZTTILHAOWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-9-6-10(7-14(15,16)17)18-8-13(9)21-12-5-3-2-4-11(12)19-20-21/h2-6,8H,7H2,1H3.
What are the key properties of 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole?
1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole has a molecular weight of 292.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(2,2,2-trifluoroethyl)-3-pyridinyl]benzotriazole is sourced from PubChem (CID 138475211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).