6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H12ClF3N4O — CID 141272174

IUPAC6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3ccc(-c4ccccc4Cl)cn3n2)cc1
InChIInChI=1S/C19H12ClF3N4O/c20-16-4-2-1-3-15(16)12-5-10-17-25-18(26-27(17)11-12)24-13-6-8-14(9-7-13)28-19(21,22)23/h1-11H,(H,24,26)
InChIKeyQJVFYTLFTUOETB-UHFFFAOYSA-N
MW404.78 g/mol
LogP5.69
Rot. Bonds4

About 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 141272174) has the molecular formula C19H12ClF3N4O and a molecular weight of 404.78 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID141272174
Molecular FormulaC19H12ClF3N4O
Molecular Weight404.78 g/mol
Exact Mass404.07
IUPAC Name6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3ccc(-c4ccccc4Cl)cn3n2)cc1
InChIInChI=1S/C19H12ClF3N4O/c20-16-4-2-1-3-15(16)12-5-10-17-25-18(26-27(17)11-12)24-13-6-8-14(9-7-13)28-19(21,22)23/h1-11H,(H,24,26)
InChIKeyQJVFYTLFTUOETB-UHFFFAOYSA-N
XLogP5.69
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 71575642
(10) 1H-1,2,4-triazol-3-yl-anilines 4-F3CO(C6H4) 4-Pyridine
CID 57339841
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 11383650
[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11524582
1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 42633305
1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 42633306
6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781217
1-ethyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49781881
1-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782104
1-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782106
1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782109

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 141272174) is 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)Oc1ccc(Nc2nc3ccc(-c4ccccc4Cl)cn3n2)cc1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is QJVFYTLFTUOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O/c20-16-4-2-1-3-15(16)12-5-10-17-25-18(26-27(17)11-12)24-13-6-8-14(9-7-13)28-19(21,22)23/h1-11H,(H,24,26).
What are the key properties of 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 404.78 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 141272174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).