3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide

C11H17N5S — CID 80513468

IUPAC3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CC(C)SC(C)C1
InChIInChI=1S/C11H17N5S/c1-7-5-16(6-8(2)17-7)11-9(10(12)13)3-4-14-15-11/h3-4,7-8H,5-6H2,1-2H3,(H3,12,13)
InChIKeyYZYJAASNABNDLK-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.09
Rot. Bonds2

About 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide

3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide (PubChem CID 80513468) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide
PubChem CID80513468
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N1CC(C)SC(C)C1
InChIInChI=1S/C11H17N5S/c1-7-5-16(6-8(2)17-7)11-9(10(12)13)3-4-14-15-11/h3-4,7-8H,5-6H2,1-2H3,(H3,12,13)
InChIKeyYZYJAASNABNDLK-UHFFFAOYSA-N
XLogP1.09
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.09
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

3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide
CID 80513361
3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 80513596
3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
CID 80513375
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
CID 80513357
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
CID 80509567
2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 79188625
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazine-4-carboximidamide
CID 102883786
3-imidazol-1-ylpyridazine-4-carboximidamide
CID 80513473
3-(4-methylpyrazol-1-yl)pyridazine-4-carboximidamide
CID 80513615
3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide
CID 80512416
3-(benzotriazol-1-yl)pyridazine-4-carboximidamide
CID 80513597
3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide
CID 80513474

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide?
The IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide (CID 80513468) is 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N1CC(C)SC(C)C1.
What is the InChIKey of 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide?
The InChIKey is YZYJAASNABNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7-5-16(6-8(2)17-7)11-9(10(12)13)3-4-14-15-11/h3-4,7-8H,5-6H2,1-2H3,(H3,12,13).
What are the key properties of 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide?
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide has a molecular weight of 251.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 80513468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).