3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide

C11H18N4OS — CID 61098457

IUPAC3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide
SMILESCCOCCNc1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C11H18N4OS/c1-4-16-6-5-13-11-9(10(12)17)7(2)8(3)14-15-11/h4-6H2,1-3H3,(H2,12,17)(H,13,15)
InChIKeyJVNHCYYYKNXSTK-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.18
Rot. Bonds6

About 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide

3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide (PubChem CID 61098457) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide
PubChem CID61098457
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide
SMILESCCOCCNc1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C11H18N4OS/c1-4-16-6-5-13-11-9(10(12)17)7(2)8(3)14-15-11/h4-6H2,1-3H3,(H2,12,17)(H,13,15)
InChIKeyJVNHCYYYKNXSTK-UHFFFAOYSA-N
XLogP1.18
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide?
The IUPAC name of 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide (CID 61098457) is 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide.
What is the SMILES notation for 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide?
The canonical SMILES for 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide is CCOCCNc1nnc(C)c(C)c1C(N)=S.
What is the InChIKey of 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide?
The InChIKey is JVNHCYYYKNXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-4-16-6-5-13-11-9(10(12)17)7(2)8(3)14-15-11/h4-6H2,1-3H3,(H2,12,17)(H,13,15).
What are the key properties of 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide?
3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide has a molecular weight of 254.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide is sourced from PubChem (CID 61098457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).