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

C14H20N6 — CID 111031676

IUPAC3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2nnc3ccccn23)C1
InChIInChI=1S/C14H20N6/c1-11-5-4-7-19(10-11)14(15)16-9-13-18-17-12-6-2-3-8-20(12)13/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H2,15,16)
InChIKeyYAGBMTRPTXDCDJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.28
Rot. Bonds2

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

3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111031676) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
PubChem CID111031676
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2nnc3ccccn23)C1
InChIInChI=1S/C14H20N6/c1-11-5-4-7-19(10-11)14(15)16-9-13-18-17-12-6-2-3-8-20(12)13/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H2,15,16)
InChIKeyYAGBMTRPTXDCDJ-UHFFFAOYSA-N
XLogP1.28
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.28
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

N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 111031625
N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide
CID 111031690
1-ethyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111013308
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
3-methyl-N'-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-1-carboximidamide
CID 111031930
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111822317
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide (CID 111031676) is 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2nnc3ccccn23)C1.
What is the InChIKey of 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is YAGBMTRPTXDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-5-4-7-19(10-11)14(15)16-9-13-18-17-12-6-2-3-8-20(12)13/h2-3,6,8,11H,4-5,7,9-10H2,1H3,(H2,15,16).
What are the key properties of 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide?
3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 272.36 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111031676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).