5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide

C13H21N5S — CID 80513327

IUPAC5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCSCC2)nnc(CC)c1CC
InChIInChI=1S/C13H21N5S/c1-3-9-10(4-2)16-17-13(11(9)12(14)15)18-5-7-19-8-6-18/h3-8H2,1-2H3,(H3,14,15)
InChIKeyUZBFORHLWVYYDO-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.44
Rot. Bonds4

About 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide

5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide (PubChem CID 80513327) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide
PubChem CID80513327
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCSCC2)nnc(CC)c1CC
InChIInChI=1S/C13H21N5S/c1-3-9-10(4-2)16-17-13(11(9)12(14)15)18-5-7-19-8-6-18/h3-8H2,1-2H3,(H3,14,15)
InChIKeyUZBFORHLWVYYDO-UHFFFAOYSA-N
XLogP1.44
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide?
The IUPAC name of 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide (CID 80513327) is 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide?
The canonical SMILES for 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CCSCC2)nnc(CC)c1CC.
What is the InChIKey of 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide?
The InChIKey is UZBFORHLWVYYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-3-9-10(4-2)16-17-13(11(9)12(14)15)18-5-7-19-8-6-18/h3-8H2,1-2H3,(H3,14,15).
What are the key properties of 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide?
5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide has a molecular weight of 279.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-thiomorpholin-4-ylpyridazine-4-carboximidamide is sourced from PubChem (CID 80513327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).