3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide

C17H30N6O — CID 119158845

IUPAC3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCOCC1CCN(/C(=N\C)NCC2CCc3nnc(C)n3C2)C1
InChIInChI=1S/C17H30N6O/c1-4-24-12-15-7-8-22(10-15)17(18-3)19-9-14-5-6-16-21-20-13(2)23(16)11-14/h14-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyXUAZDLRSKIZTHK-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.08
Rot. Bonds5

About 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide

3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 119158845) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide
PubChem CID119158845
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCOCC1CCN(/C(=N\C)NCC2CCc3nnc(C)n3C2)C1
InChIInChI=1S/C17H30N6O/c1-4-24-12-15-7-8-22(10-15)17(18-3)19-9-14-5-6-16-21-20-13(2)23(16)11-14/h14-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyXUAZDLRSKIZTHK-UHFFFAOYSA-N
XLogP1.08
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.08
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'}

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Related Compounds

3-(methoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide
CID 119158587
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119158686
4-(4-fluorophenyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119157842
N-ethyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119158734
4-(furan-2-carbonyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperazine-1-carboximidamide
CID 119157851
3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111998274
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111747651
N-cyclobutyl-3-(ethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119154357
2-methyl-1-(2-methylcyclopropyl)-3-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine;hydroiodide
CID 119159073
1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethyl-3-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine
CID 119158227
3-(ethoxymethyl)-N'-methyl-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 111997699
4-acetyl-N-ethyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperazine-1-carboximidamide
CID 119157751

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide (CID 119158845) is 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide is CCOCC1CCN(/C(=N\C)NCC2CCc3nnc(C)n3C2)C1.
What is the InChIKey of 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is XUAZDLRSKIZTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-4-24-12-15-7-8-22(10-15)17(18-3)19-9-14-5-6-16-21-20-13(2)23(16)11-14/h14-15H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide?
3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 334.47 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119158845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).