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

C10H15N3O2S — CID 80512552

IUPAC3-(2-propoxyethoxy)pyridazine-4-carbothioamide
SMILESCCCOCCOc1nnccc1C(N)=S
InChIInChI=1S/C10H15N3O2S/c1-2-5-14-6-7-15-10-8(9(11)16)3-4-12-13-10/h3-4H,2,5-7H2,1H3,(H2,11,16)
InChIKeyFLPXIKZAEZZMSP-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.92
Rot. Bonds7

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

3-(2-propoxyethoxy)pyridazine-4-carbothioamide (PubChem CID 80512552) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(2-propoxyethoxy)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(2-propoxyethoxy)pyridazine-4-carbothioamide
PubChem CID80512552
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-(2-propoxyethoxy)pyridazine-4-carbothioamide
SMILESCCCOCCOc1nnccc1C(N)=S
InChIInChI=1S/C10H15N3O2S/c1-2-5-14-6-7-15-10-8(9(11)16)3-4-12-13-10/h3-4H,2,5-7H2,1H3,(H2,11,16)
InChIKeyFLPXIKZAEZZMSP-UHFFFAOYSA-N
XLogP0.92
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropoxy)pyridazine-4-carbothioamide
CID 80512547
3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
CID 106201688
3-(2-pyrrolidin-1-ylethoxy)pyridazine-4-carbothioamide
CID 80512741
3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide
CID 80512781
3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide
CID 80512855
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63686758
3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
CID 80512708
2-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbothioamide
CID 103177659
3-(4-butylphenoxy)pyridazine-4-carbothioamide
CID 115492623
2-fluoro-4-(2-propoxyethoxy)benzenecarbothioamide
CID 106452864
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbothioamide
CID 80512658
2-(2-butoxyethoxy)benzenecarbothioamide
CID 29001981

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyethoxy)pyridazine-4-carbothioamide?
The IUPAC name of 3-(2-propoxyethoxy)pyridazine-4-carbothioamide (CID 80512552) is 3-(2-propoxyethoxy)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(2-propoxyethoxy)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(2-propoxyethoxy)pyridazine-4-carbothioamide is CCCOCCOc1nnccc1C(N)=S.
What is the InChIKey of 3-(2-propoxyethoxy)pyridazine-4-carbothioamide?
The InChIKey is FLPXIKZAEZZMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-5-14-6-7-15-10-8(9(11)16)3-4-12-13-10/h3-4H,2,5-7H2,1H3,(H2,11,16).
What are the key properties of 3-(2-propoxyethoxy)pyridazine-4-carbothioamide?
3-(2-propoxyethoxy)pyridazine-4-carbothioamide has a molecular weight of 241.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethoxy)pyridazine-4-carbothioamide is sourced from PubChem (CID 80512552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).