3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide

C10H13N3OS — CID 106201688

IUPAC3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1OCCC1CC1
InChIInChI=1S/C10H13N3OS/c11-9(15)8-3-5-12-13-10(8)14-6-4-7-1-2-7/h3,5,7H,1-2,4,6H2,(H2,11,15)
InChIKeySDEAWDAHWRMQDX-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.29
Rot. Bonds5

About 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide

3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide (PubChem CID 106201688) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
PubChem CID106201688
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1OCCC1CC1
InChIInChI=1S/C10H13N3OS/c11-9(15)8-3-5-12-13-10(8)14-6-4-7-1-2-7/h3,5,7H,1-2,4,6H2,(H2,11,15)
InChIKeySDEAWDAHWRMQDX-UHFFFAOYSA-N
XLogP1.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-cyclopropylethoxy)pyridazine-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

Related Compounds

3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
CID 80512708
3-(3-methoxypropoxy)pyridazine-4-carbothioamide
CID 80512547
3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid
CID 106206427
3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
3-(2-propoxyethoxy)pyridazine-4-carbothioamide
CID 80512552
3-(2-pyrrolidin-1-ylethoxy)pyridazine-4-carbothioamide
CID 80512741
3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide
CID 80512781
3-(oxan-4-yloxy)pyridazine-4-carbothioamide
CID 80512432
3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide
CID 80512855
3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 106203425
2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide
CID 106201683
3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide?
The IUPAC name of 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide (CID 106201688) is 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide is NC(=S)c1ccnnc1OCCC1CC1.
What is the InChIKey of 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide?
The InChIKey is SDEAWDAHWRMQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-9(15)8-3-5-12-13-10(8)14-6-4-7-1-2-7/h3,5,7H,1-2,4,6H2,(H2,11,15).
What are the key properties of 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide?
3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide has a molecular weight of 223.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide is sourced from PubChem (CID 106201688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).