5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide

C13H23N5 — CID 80512941

IUPAC5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CCC)nnc(CC)c1CC
InChIInChI=1S/C13H23N5/c1-5-8-18(4)13-11(12(14)15)9(6-2)10(7-3)16-17-13/h5-8H2,1-4H3,(H3,14,15)
InChIKeyUHULWBIZIFMAEP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.73
Rot. Bonds6

About 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide

5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide (PubChem CID 80512941) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide
PubChem CID80512941
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CCC)nnc(CC)c1CC
InChIInChI=1S/C13H23N5/c1-5-8-18(4)13-11(12(14)15)9(6-2)10(7-3)16-17-13/h5-8H2,1-4H3,(H3,14,15)
InChIKeyUHULWBIZIFMAEP-UHFFFAOYSA-N
XLogP1.73
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.73
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'}

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Related Compounds

3-(dipropylamino)-5,6-diethylpyridazine-4-carboximidamide
CID 80513125
5,6-diethyl-3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512560
3-[butan-2-yl(ethyl)amino]-5,6-diethylpyridazine-4-carboximidamide
CID 80513030
5,6-diethyl-3-[ethyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513182
5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carboxylic acid
CID 80517696
5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide
CID 80515805
3-butan-2-ylsulfanyl-5,6-diethylpyridazine-4-carboximidamide
CID 80515568
5,6-diethyl-3-(2-methylpropoxy)pyridazine-4-carboximidamide
CID 80514321
5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide
CID 80513406
5,6-diethyl-3-(4-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 80515382
5,6-diethyl-3-[ethyl(propyl)amino]pyridazine-4-carbothioamide
CID 80512225
3-(3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carboximidamide
CID 80513511

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide (CID 80512941) is 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N(C)CCC)nnc(CC)c1CC.
What is the InChIKey of 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide?
The InChIKey is UHULWBIZIFMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-5-8-18(4)13-11(12(14)15)9(6-2)10(7-3)16-17-13/h5-8H2,1-4H3,(H3,14,15).
What are the key properties of 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide?
5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide has a molecular weight of 249.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[methyl(propyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80512941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).