N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline

C19H12ClF3N4 — CID 66849849

IUPACN-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(Nc4ccc(Cl)cc4)cc3)cn12
InChIInChI=1S/C19H12ClF3N4/c20-14-4-8-16(9-5-14)24-15-6-1-12(2-7-15)13-3-10-17-25-26-18(19(21,22)23)27(17)11-13/h1-11,24H
InChIKeyDHSOSPXEQWAMGC-UHFFFAOYSA-N
MW388.78 g/mol
LogP5.81
Rot. Bonds3

About N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline

N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline (PubChem CID 66849849) has the molecular formula C19H12ClF3N4 and a molecular weight of 388.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline
PubChem CID66849849
Molecular FormulaC19H12ClF3N4
Molecular Weight388.78 g/mol
Exact Mass388.07
IUPAC NameN-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(Nc4ccc(Cl)cc4)cc3)cn12
InChIInChI=1S/C19H12ClF3N4/c20-14-4-8-16(9-5-14)24-15-6-1-12(2-7-15)13-3-10-17-25-26-18(19(21,22)23)27(17)11-13/h1-11,24H
InChIKeyDHSOSPXEQWAMGC-UHFFFAOYSA-N
XLogP5.81
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.78
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline?
The IUPAC name of N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline (CID 66849849) is N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline.
What is the SMILES notation for N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline?
The canonical SMILES for N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline is FC(F)(F)c1nnc2ccc(-c3ccc(Nc4ccc(Cl)cc4)cc3)cn12.
What is the InChIKey of N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline?
The InChIKey is DHSOSPXEQWAMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4/c20-14-4-8-16(9-5-14)24-15-6-1-12(2-7-15)13-3-10-17-25-26-18(19(21,22)23)27(17)11-13/h1-11,24H.
What are the key properties of N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline?
N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline has a molecular weight of 388.78 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline is sourced from PubChem (CID 66849849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).