2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide

C14H18F3IN6O — CID 120661129

IUPAC2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/Cc2nnc3ccc(C(F)(F)F)cn23)CCO1.I
InChIInChI=1S/C14H17F3N6O.HI/c1-9-7-22(4-5-24-9)13(18)19-6-12-21-20-11-3-2-10(8-23(11)12)14(15,16)17;/h2-3,8-9H,4-7H2,1H3,(H2,18,19);1H
InChIKeyOCFUEKWMUVBQSY-UHFFFAOYSA-N
MW470.24 g/mol
LogP1.90
Rot. Bonds2

About 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661129) has the molecular formula C14H18F3IN6O and a molecular weight of 470.24 g/mol. Its IUPAC name is 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661129
Molecular FormulaC14H18F3IN6O
Molecular Weight470.24 g/mol
Exact Mass470.05
IUPAC Name2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/Cc2nnc3ccc(C(F)(F)F)cn23)CCO1.I
InChIInChI=1S/C14H17F3N6O.HI/c1-9-7-22(4-5-24-9)13(18)19-6-12-21-20-11-3-2-10(8-23(11)12)14(15,16)17;/h2-3,8-9H,4-7H2,1H3,(H2,18,19);1H
InChIKeyOCFUEKWMUVBQSY-UHFFFAOYSA-N
XLogP1.90
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide
CID 120661926
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661163
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120663185
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide
CID 120662048
N'-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661827
2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661971
3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111031676
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 120661129) is 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/Cc2nnc3ccc(C(F)(F)F)cn23)CCO1.I.
What is the InChIKey of 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is OCFUEKWMUVBQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O.HI/c1-9-7-22(4-5-24-9)13(18)19-6-12-21-20-11-3-2-10(8-23(11)12)14(15,16)17;/h2-3,8-9H,4-7H2,1H3,(H2,18,19);1H.
What are the key properties of 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 470.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).