3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide

C10H15N3OS — CID 80512855

IUPAC3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide
SMILESCCC(C)(C)Oc1nnccc1C(N)=S
InChIInChI=1S/C10H15N3OS/c1-4-10(2,3)14-9-7(8(11)15)5-6-12-13-9/h5-6H,4H2,1-3H3,(H2,11,15)
InChIKeyUNYQZEDBJHUEAN-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.68
Rot. Bonds4

About 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide

3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide (PubChem CID 80512855) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide
PubChem CID80512855
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide
SMILESCCC(C)(C)Oc1nnccc1C(N)=S
InChIInChI=1S/C10H15N3OS/c1-4-10(2,3)14-9-7(8(11)15)5-6-12-13-9/h5-6H,4H2,1-3H3,(H2,11,15)
InChIKeyUNYQZEDBJHUEAN-UHFFFAOYSA-N
XLogP1.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide?
The IUPAC name of 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide (CID 80512855) is 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide is CCC(C)(C)Oc1nnccc1C(N)=S.
What is the InChIKey of 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide?
The InChIKey is UNYQZEDBJHUEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-4-10(2,3)14-9-7(8(11)15)5-6-12-13-9/h5-6H,4H2,1-3H3,(H2,11,15).
What are the key properties of 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide?
3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide has a molecular weight of 225.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide is sourced from PubChem (CID 80512855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).