1-ethyl-N'-hydroxyimidazole-4-carboximidamide

C6H10N4O — CID 83872736

IUPAC1-ethyl-N'-hydroxyimidazole-4-carboximidamide
SMILESCCn1cnc(/C(N)=N\O)c1
InChIInChI=1S/C6H10N4O/c1-2-10-3-5(8-4-10)6(7)9-11/h3-4,11H,2H2,1H3,(H2,7,9)
InChIKeySXOCKMZEGGLLMV-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.00
Rot. Bonds2

About 1-ethyl-N'-hydroxyimidazole-4-carboximidamide

1-ethyl-N'-hydroxyimidazole-4-carboximidamide (PubChem CID 83872736) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-ethyl-N'-hydroxyimidazole-4-carboximidamide.

Molecular Properties

Compound Name1-ethyl-N'-hydroxyimidazole-4-carboximidamide
PubChem CID83872736
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-ethyl-N'-hydroxyimidazole-4-carboximidamide
SMILESCCn1cnc(/C(N)=N\O)c1
InChIInChI=1S/C6H10N4O/c1-2-10-3-5(8-4-10)6(7)9-11/h3-4,11H,2H2,1H3,(H2,7,9)
InChIKeySXOCKMZEGGLLMV-UHFFFAOYSA-N
XLogP-0.00
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
1-ethylimidazol-4-amine
CID 53403306
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone
CID 130509710
2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 79373579
(1-ethylimidazol-4-yl)-trimethylazanium
CID 174680519
(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
CID 126976704
2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
CID 122129869
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
1-ethyl-N-methylimidazol-4-amine
CID 175451151
(1-ethylimidazol-4-yl)-pyrrolidin-3-ylmethanone
CID 130509568
N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 107974233
2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 79369865

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-hydroxyimidazole-4-carboximidamide?
The IUPAC name of 1-ethyl-N'-hydroxyimidazole-4-carboximidamide (CID 83872736) is 1-ethyl-N'-hydroxyimidazole-4-carboximidamide.
What is the SMILES notation for 1-ethyl-N'-hydroxyimidazole-4-carboximidamide?
The canonical SMILES for 1-ethyl-N'-hydroxyimidazole-4-carboximidamide is CCn1cnc(/C(N)=N\O)c1.
What is the InChIKey of 1-ethyl-N'-hydroxyimidazole-4-carboximidamide?
The InChIKey is SXOCKMZEGGLLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-10-3-5(8-4-10)6(7)9-11/h3-4,11H,2H2,1H3,(H2,7,9).
What are the key properties of 1-ethyl-N'-hydroxyimidazole-4-carboximidamide?
1-ethyl-N'-hydroxyimidazole-4-carboximidamide has a molecular weight of 154.17 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-hydroxyimidazole-4-carboximidamide is sourced from PubChem (CID 83872736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).