5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide

C14H16N4OS — CID 63649514

IUPAC5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2ccccc2SC)nnc(C)c1C
InChIInChI=1S/C14H16N4OS/c1-8-9(2)17-18-14(12(8)13(15)16)19-10-6-4-5-7-11(10)20-3/h4-7H,1-3H3,(H3,15,16)
InChIKeyNYOQMHHCODUMRE-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.89
Rot. Bonds4

About 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide

5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide (PubChem CID 63649514) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
PubChem CID63649514
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2ccccc2SC)nnc(C)c1C
InChIInChI=1S/C14H16N4OS/c1-8-9(2)17-18-14(12(8)13(15)16)19-10-6-4-5-7-11(10)20-3/h4-7H,1-3H3,(H3,15,16)
InChIKeyNYOQMHHCODUMRE-UHFFFAOYSA-N
XLogP2.89
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.89
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-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide (CID 63649514) is 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Oc2ccccc2SC)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide?
The InChIKey is NYOQMHHCODUMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-8-9(2)17-18-14(12(8)13(15)16)19-10-6-4-5-7-11(10)20-3/h4-7H,1-3H3,(H3,15,16).
What are the key properties of 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide?
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide has a molecular weight of 288.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 63649514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).