N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

C9H13F3N4 — CID 83866053

IUPACN-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESCNCC1CCc2nc(C(F)(F)F)nn2C1
InChIInChI=1S/C9H13F3N4/c1-13-4-6-2-3-7-14-8(9(10,11)12)15-16(7)5-6/h6,13H,2-5H2,1H3
InChIKeyOXCOSHWYFLHWOT-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.08
Rot. Bonds2

About N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 83866053) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
PubChem CID83866053
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC NameN-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESCNCC1CCc2nc(C(F)(F)F)nn2C1
InChIInChI=1S/C9H13F3N4/c1-13-4-6-2-3-7-14-8(9(10,11)12)15-16(7)5-6/h6,13H,2-5H2,1H3
InChIKeyOXCOSHWYFLHWOT-UHFFFAOYSA-N
XLogP1.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine
CID 83866057
N-methyl-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95732943
1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine
CID 83867915
[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153612
(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine
CID 82568060
2-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanamine
CID 83866026
1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine
CID 83867685
2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83883331
[2-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 82568058
N-methyl-1-(4-methylidenecyclohexyl)methanamine
CID 88567743
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153617
1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine
CID 83869834

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (CID 83866053) is N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is CNCC1CCc2nc(C(F)(F)F)nn2C1.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is OXCOSHWYFLHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-13-4-6-2-3-7-14-8(9(10,11)12)15-16(7)5-6/h6,13H,2-5H2,1H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 234.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 83866053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).