3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide

C15H25N5S — CID 80512416

IUPAC3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(C)SC(C)C2)nnc(CC)c1CC
InChIInChI=1S/C15H25N5S/c1-5-11-12(6-2)18-19-15(13(11)14(16)17)20-7-9(3)21-10(4)8-20/h9-10H,5-8H2,1-4H3,(H3,16,17)
InChIKeyZROGTXCRHXHZTN-UHFFFAOYSA-N
MW307.47 g/mol
LogP2.22
Rot. Bonds4

About 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide

3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide (PubChem CID 80512416) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide
PubChem CID80512416
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(C)SC(C)C2)nnc(CC)c1CC
InChIInChI=1S/C15H25N5S/c1-5-11-12(6-2)18-19-15(13(11)14(16)17)20-7-9(3)21-10(4)8-20/h9-10H,5-8H2,1-4H3,(H3,16,17)
InChIKeyZROGTXCRHXHZTN-UHFFFAOYSA-N
XLogP2.22
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.22
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

4-(aminomethyl)-5,6-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55006492
4-(aminomethyl)-5,6-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55006781
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55006874
3-[Ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 55008801
3-[Ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 55011532
5,6-Dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
CID 61092160
4-(aminomethyl)-N,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 61097624
5,6-Dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 61098464
5,6-Dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
CID 61604290
5,6-Dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
CID 61604380
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 61604674
5,6-Dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 61606262

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide (CID 80512416) is 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CC(C)SC(C)C2)nnc(CC)c1CC.
What is the InChIKey of 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide?
The InChIKey is ZROGTXCRHXHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-5-11-12(6-2)18-19-15(13(11)14(16)17)20-7-9(3)21-10(4)8-20/h9-10H,5-8H2,1-4H3,(H3,16,17).
What are the key properties of 3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide?
3-(2,6-dimethylthiomorpholin-4-yl)-5,6-diethylpyridazine-4-carboximidamide has a molecular weight of 307.47 g/mol, XLogP of 2.22, 4 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)-5,6-diethylpyridazine-4-carboximidamide is sourced from PubChem (CID 80512416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).