N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide

C19H22N6 — CID 111723451

IUPACN'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1nnc2ccccn12)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H22N6/c1-20-19(21-13-18-23-22-17-9-5-6-11-25(17)18)24-12-10-16(14-24)15-7-3-2-4-8-15/h2-9,11,16H,10,12-14H2,1H3,(H,20,21)
InChIKeyVIYLIDBJIIAJHL-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.29
Rot. Bonds3

About N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide

N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 111723451) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID111723451
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1nnc2ccccn12)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H22N6/c1-20-19(21-13-18-23-22-17-9-5-6-11-25(17)18)24-12-10-16(14-24)15-7-3-2-4-8-15/h2-9,11,16H,10,12-14H2,1H3,(H,20,21)
InChIKeyVIYLIDBJIIAJHL-UHFFFAOYSA-N
XLogP2.29
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide
CID 111736285
N'-methyl-3-(phenylsulfanylmethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide
CID 111748814
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111742229
3-[(4-fluorophenyl)methyl]-N'-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide
CID 119143644
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955
4-acetyl-N'-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119115966
N'-methyl-3-pentan-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111743953
N'-methyl-4-(oxan-2-ylmethoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109448348
N'-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733022
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 119155019
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743184

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide (CID 111723451) is N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide is C/N=C(/NCc1nnc2ccccn12)N1CCC(c2ccccc2)C1.
What is the InChIKey of N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is VIYLIDBJIIAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-20-19(21-13-18-23-22-17-9-5-6-11-25(17)18)24-12-10-16(14-24)15-7-3-2-4-8-15/h2-9,11,16H,10,12-14H2,1H3,(H,20,21).
What are the key properties of N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide?
N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 334.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111723451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).