N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

C11H21IN6O — CID 120663185

IUPACN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCCn1ncnc1C/N=C(\N)N1CCOC(C)C1.I
InChIInChI=1S/C11H20N6O.HI/c1-3-17-10(14-8-15-17)6-13-11(12)16-4-5-18-9(2)7-16;/h8-9H,3-7H2,1-2H3,(H2,12,13);1H
InChIKeyGEYCXUSUCZHUBN-UHFFFAOYSA-N
MW380.23 g/mol
LogP0.45
Rot. Bonds3

About N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120663185) has the molecular formula C11H21IN6O and a molecular weight of 380.23 g/mol. Its IUPAC name is N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120663185
Molecular FormulaC11H21IN6O
Molecular Weight380.23 g/mol
Exact Mass380.08
IUPAC NameN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCCn1ncnc1C/N=C(\N)N1CCOC(C)C1.I
InChIInChI=1S/C11H20N6O.HI/c1-3-17-10(14-8-15-17)6-13-11(12)16-4-5-18-9(2)7-16;/h8-9H,3-7H2,1-2H3,(H2,12,13);1H
InChIKeyGEYCXUSUCZHUBN-UHFFFAOYSA-N
XLogP0.45
TPSA81.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 50.45
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'}

Analyze N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 120663168
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide
CID 120662048
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120762698
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide
CID 130723743
2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661129
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662146
2-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661143

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120663185) is N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is CCn1ncnc1C/N=C(\N)N1CCOC(C)C1.I.
What is the InChIKey of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is GEYCXUSUCZHUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O.HI/c1-3-17-10(14-8-15-17)6-13-11(12)16-4-5-18-9(2)7-16;/h8-9H,3-7H2,1-2H3,(H2,12,13);1H.
What are the key properties of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 380.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120663185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).