5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide

C14H20N6 — CID 80513406

IUPAC5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-n2ccnc2CC)nnc(CC)c1CC
InChIInChI=1S/C14H20N6/c1-4-9-10(5-2)18-19-14(12(9)13(15)16)20-8-7-17-11(20)6-3/h7-8H,4-6H2,1-3H3,(H3,15,16)
InChIKeyJIEHTYMERNETOI-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.63
Rot. Bonds5

About 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide

5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide (PubChem CID 80513406) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide
PubChem CID80513406
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-n2ccnc2CC)nnc(CC)c1CC
InChIInChI=1S/C14H20N6/c1-4-9-10(5-2)18-19-14(12(9)13(15)16)20-8-7-17-11(20)6-3/h7-8H,4-6H2,1-3H3,(H3,15,16)
InChIKeyJIEHTYMERNETOI-UHFFFAOYSA-N
XLogP1.63
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.63
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'}

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Related Compounds

5,6-diethyl-3-(2-methylimidazol-1-yl)pyridazine-4-carbothioamide
CID 80511813
3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide
CID 80512416
3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide
CID 80513511
5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide
CID 80513327
5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489732
4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293852
5,6-diethyl-3-(3-hydroxypiperidin-1-yl)pyridazine-4-carboximidamide
CID 80513433
3-chloro-4-(2-ethylimidazol-1-yl)benzenecarboximidamide
CID 63089231
5,6-diethyl-3-(2-methylpropoxy)pyridazine-4-carboximidamide
CID 80514321
5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide
CID 80512941
3-(dipropylamino)-5,6-diethylpyridazine-4-carboximidamide
CID 80513125
3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide
CID 80514062

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide (CID 80513406) is 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(-n2ccnc2CC)nnc(CC)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide?
The InChIKey is JIEHTYMERNETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-9-10(5-2)18-19-14(12(9)13(15)16)20-8-7-17-11(20)6-3/h7-8H,4-6H2,1-3H3,(H3,15,16).
What are the key properties of 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide?
5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide has a molecular weight of 272.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 80513406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).