N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C9H9F3N4 — CID 83866634

IUPACN-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCNCc1ccc2nnc(C(F)(F)F)n2c1
InChIInChI=1S/C9H9F3N4/c1-13-4-6-2-3-7-14-15-8(9(10,11)12)16(7)5-6/h2-3,5,13H,4H2,1H3
InChIKeyGEDFJVLYZKPDJJ-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.47
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 83866634) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID83866634
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCNCc1ccc2nnc(C(F)(F)F)n2c1
InChIInChI=1S/C9H9F3N4/c1-13-4-6-2-3-7-14-15-8(9(10,11)12)16(7)5-6/h2-3,5,13H,4H2,1H3
InChIKeyGEDFJVLYZKPDJJ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 58118961
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenol
CID 58118934
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611
N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866629
1-phenyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]hydrazine
CID 123576831
N-(4-chlorophenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]aniline
CID 66849849
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179
1-(3-bromo-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methylmethanamine
CID 83867795
6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555591
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138638
6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139653
1-cyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 43655456

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 83866634) is N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is CNCc1ccc2nnc(C(F)(F)F)n2c1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is GEDFJVLYZKPDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-13-4-6-2-3-7-14-15-8(9(10,11)12)16(7)5-6/h2-3,5,13H,4H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 230.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 83866634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).