3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide

C10H16N4OS — CID 61090678

IUPAC3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(SCCOC)nnc(C)c1C
InChIInChI=1S/C10H16N4OS/c1-6-7(2)13-14-10(8(6)9(11)12)16-5-4-15-3/h4-5H2,1-3H3,(H3,11,12)
InChIKeyYTAZXGNXNZEHTC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.12
Rot. Bonds5

About 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide

3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61090678) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61090678
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(SCCOC)nnc(C)c1C
InChIInChI=1S/C10H16N4OS/c1-6-7(2)13-14-10(8(6)9(11)12)16-5-4-15-3/h4-5H2,1-3H3,(H3,11,12)
InChIKeyYTAZXGNXNZEHTC-UHFFFAOYSA-N
XLogP1.12
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide (CID 61090678) is 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(SCCOC)nnc(C)c1C.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is YTAZXGNXNZEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6-7(2)13-14-10(8(6)9(11)12)16-5-4-15-3/h4-5H2,1-3H3,(H3,11,12).
What are the key properties of 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 240.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61090678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).