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

C9H9F3N4 — CID 118971685

IUPAC8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCc1cccn2c(NCC(F)(F)F)nnc12
InChIInChI=1S/C9H9F3N4/c1-6-3-2-4-16-7(6)14-15-8(16)13-5-9(10,11)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyAPLJDJSVDIIGHZ-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.01
Rot. Bonds2

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

8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 118971685) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID118971685
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCc1cccn2c(NCC(F)(F)F)nnc12
InChIInChI=1S/C9H9F3N4/c1-6-3-2-4-16-7(6)14-15-8(16)13-5-9(10,11)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyAPLJDJSVDIIGHZ-UHFFFAOYSA-N
XLogP2.01
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine with MolForge

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Related Compounds

3-chloro-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55267696
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
8-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 134186125
1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83866519
3-iodo-8-methylimidazo[1,2-a]pyridine
CID 115404343
3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82058636
9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione
CID 154097501
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147336
2-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 28581729
8-methyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146664
3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147131

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 118971685) is 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Cc1cccn2c(NCC(F)(F)F)nnc12.
What is the InChIKey of 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is APLJDJSVDIIGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-6-3-2-4-16-7(6)14-15-8(16)13-5-9(10,11)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 230.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 118971685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).