6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H9F3N4 — CID 39080033

IUPAC6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1cc(N)c2nnc(-c3ccc(F)c(F)c3F)n2c1
InChIInChI=1S/C13H9F3N4/c1-6-4-9(17)13-19-18-12(20(13)5-6)7-2-3-8(14)11(16)10(7)15/h2-5H,17H2,1H3
InChIKeyPPUDXSLOCMOZLG-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.70
Rot. Bonds1

About 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080033) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080033
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1cc(N)c2nnc(-c3ccc(F)c(F)c3F)n2c1
InChIInChI=1S/C13H9F3N4/c1-6-4-9(17)13-19-18-12(20(13)5-6)7-2-3-8(14)11(16)10(7)15/h2-5H,17H2,1H3
InChIKeyPPUDXSLOCMOZLG-UHFFFAOYSA-N
XLogP2.70
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992
6-fluoro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965957
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056
3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965947
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
3-(4-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83966007
5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine
CID 107935845
5-methyl-2-(2,4,5-trifluorophenyl)aniline
CID 82766150
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
CID 107935487
6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 82059481
6-bromo-3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080167

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080033) is 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Cc1cc(N)c2nnc(-c3ccc(F)c(F)c3F)n2c1.
What is the InChIKey of 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is PPUDXSLOCMOZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-6-4-9(17)13-19-18-12(20(13)5-6)7-2-3-8(14)11(16)10(7)15/h2-5H,17H2,1H3.
What are the key properties of 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 278.24 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).