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

C15H27IN6 — CID 119147070

IUPAC3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1nnc2n1CC(C/N=C(\N)N1CCCC(C)C1)CC2.I
InChIInChI=1S/C15H26N6.HI/c1-11-4-3-7-20(9-11)15(16)17-8-13-5-6-14-19-18-12(2)21(14)10-13;/h11,13H,3-10H2,1-2H3,(H2,16,17);1H
InChIKeyPBGSJCPYWVRYOL-UHFFFAOYSA-N
MW418.33 g/mol
LogP1.81
Rot. Bonds2

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

3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 119147070) has the molecular formula C15H27IN6 and a molecular weight of 418.33 g/mol. Its IUPAC name is 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID119147070
Molecular FormulaC15H27IN6
Molecular Weight418.33 g/mol
Exact Mass418.13
IUPAC Name3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1nnc2n1CC(C/N=C(\N)N1CCCC(C)C1)CC2.I
InChIInChI=1S/C15H26N6.HI/c1-11-4-3-7-20(9-11)15(16)17-8-13-5-6-14-19-18-12(2)21(14)10-13;/h11,13H,3-10H2,1-2H3,(H2,16,17);1H
InChIKeyPBGSJCPYWVRYOL-UHFFFAOYSA-N
XLogP1.81
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 51.81
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine
CID 119147119
1-cyclopropyl-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine
CID 119147143
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654
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-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 71755954
[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 95970239
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
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111078920
tert-butyl 3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032281
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine;hydroiodide
CID 119158332
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 119147070) is 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide is Cc1nnc2n1CC(C/N=C(\N)N1CCCC(C)C1)CC2.I.
What is the InChIKey of 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is PBGSJCPYWVRYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6.HI/c1-11-4-3-7-20(9-11)15(16)17-8-13-5-6-14-19-18-12(2)21(14)10-13;/h11,13H,3-10H2,1-2H3,(H2,16,17);1H.
What are the key properties of 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 418.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119147070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).