N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide

C12H17IN6O — CID 111031625

IUPACN'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1nnc2ccccn12)N1CCOCC1
InChIInChI=1S/C12H16N6O.HI/c13-12(17-5-7-19-8-6-17)14-9-11-16-15-10-3-1-2-4-18(10)11;/h1-4H,5-9H2,(H2,13,14);1H
InChIKeyNFOFTHMMRGDYSZ-UHFFFAOYSA-N
MW388.21 g/mol
LogP0.49
Rot. Bonds2

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

N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 111031625) has the molecular formula C12H17IN6O and a molecular weight of 388.21 g/mol. Its IUPAC name is N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID111031625
Molecular FormulaC12H17IN6O
Molecular Weight388.21 g/mol
Exact Mass388.05
IUPAC NameN'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1nnc2ccccn12)N1CCOCC1
InChIInChI=1S/C12H16N6O.HI/c13-12(17-5-7-19-8-6-17)14-9-11-16-15-10-3-1-2-4-18(10)11;/h1-4H,5-9H2,(H2,13,14);1H
InChIKeyNFOFTHMMRGDYSZ-UHFFFAOYSA-N
XLogP0.49
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 50.49
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

N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide
CID 111031690
3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111031676
N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170
N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803023
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111016344
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111031699
N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119146669
1-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111015751
tert-butyl 4-[N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111033920
1-propyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111031628
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620

Frequently Asked Questions

What is the IUPAC name of N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide (CID 111031625) is N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1nnc2ccccn12)N1CCOCC1.
What is the InChIKey of N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is NFOFTHMMRGDYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O.HI/c13-12(17-5-7-19-8-6-17)14-9-11-16-15-10-3-1-2-4-18(10)11;/h1-4H,5-9H2,(H2,13,14);1H.
What are the key properties of N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 388.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111031625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).