6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H12F3N9 — CID 167004247

IUPAC6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2c(-c3cnn(CC(F)(F)F)c3)cc(-n3nnc4ccccc43)cn2n1
InChIInChI=1S/C17H12F3N9/c18-17(19,20)9-27-7-10(6-22-27)12-5-11(8-28-15(12)23-16(21)25-28)29-14-4-2-1-3-13(14)24-26-29/h1-8H,9H2,(H2,21,25)
InChIKeyHYVDIFJOJRXHIL-UHFFFAOYSA-N
MW399.34 g/mol
LogP2.47
Rot. Bonds3

About 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 167004247) has the molecular formula C17H12F3N9 and a molecular weight of 399.34 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID167004247
Molecular FormulaC17H12F3N9
Molecular Weight399.34 g/mol
Exact Mass399.12
IUPAC Name6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2c(-c3cnn(CC(F)(F)F)c3)cc(-n3nnc4ccccc43)cn2n1
InChIInChI=1S/C17H12F3N9/c18-17(19,20)9-27-7-10(6-22-27)12-5-11(8-28-15(12)23-16(21)25-28)29-14-4-2-1-3-13(14)24-26-29/h1-8H,9H2,(H2,21,25)
InChIKeyHYVDIFJOJRXHIL-UHFFFAOYSA-N
XLogP2.47
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 155232223
3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171394091
6-bromo-8-[3-(trifluoromethylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 155232207
4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 135205319
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-2-phenyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-1-one
CID 144823951
2-(difluoromethoxy)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]aniline
CID 171384969
[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320862
[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 171364630
2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164608301
[3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanamine
CID 170765642
1-(2,2-dimethylpropyl)-4-phenylpyrazole
CID 149052021
4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(trifluoromethyl)benzoic acid
CID 162677627

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 167004247) is 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2c(-c3cnn(CC(F)(F)F)c3)cc(-n3nnc4ccccc43)cn2n1.
What is the InChIKey of 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HYVDIFJOJRXHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N9/c18-17(19,20)9-27-7-10(6-22-27)12-5-11(8-28-15(12)23-16(21)25-28)29-14-4-2-1-3-13(14)24-26-29/h1-8H,9H2,(H2,21,25).
What are the key properties of 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 399.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 167004247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).