1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide

C14H21IN6O — CID 111427089

IUPAC1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCc1noc(-c2ccccn2)n1)NCC.I
InChIInChI=1S/C14H20N6O.HI/c1-3-15-14(16-4-2)18-10-8-12-19-13(21-20-12)11-7-5-6-9-17-11;/h5-7,9H,3-4,8,10H2,1-2H3,(H2,15,16,18);1H
InChIKeyYYBBZZQDWLJKDH-UHFFFAOYSA-N
MW416.27 g/mol
LogP1.87
Rot. Bonds6

About 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide

1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 111427089) has the molecular formula C14H21IN6O and a molecular weight of 416.27 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
PubChem CID111427089
Molecular FormulaC14H21IN6O
Molecular Weight416.27 g/mol
Exact Mass416.08
IUPAC Name1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCc1noc(-c2ccccn2)n1)NCC.I
InChIInChI=1S/C14H20N6O.HI/c1-3-15-14(16-4-2)18-10-8-12-19-13(21-20-12)11-7-5-6-9-17-11;/h5-7,9H,3-4,8,10H2,1-2H3,(H2,15,16,18);1H
InChIKeyYYBBZZQDWLJKDH-UHFFFAOYSA-N
XLogP1.87
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
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

1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111764342
1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111759213
1-ethyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111768222
1-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111765826
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111764793
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 109419580
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111767156
N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111807439
1-(3,4-dimethylphenyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111807375
2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
1-(6-methylheptan-2-yl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111807391
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide (CID 111427089) is 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide is CCNC(=NCCc1noc(-c2ccccn2)n1)NCC.I.
What is the InChIKey of 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide?
The InChIKey is YYBBZZQDWLJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.HI/c1-3-15-14(16-4-2)18-10-8-12-19-13(21-20-12)11-7-5-6-9-17-11;/h5-7,9H,3-4,8,10H2,1-2H3,(H2,15,16,18);1H.
What are the key properties of 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide?
1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 416.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111427089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).