5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide

C10H15N3OS — CID 61097067

IUPAC5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide
SMILESCc1nnc(OC(C)C)c(C(N)=S)c1C
InChIInChI=1S/C10H15N3OS/c1-5(2)14-10-8(9(11)15)6(3)7(4)12-13-10/h5H,1-4H3,(H2,11,15)
InChIKeyJVJCXTASZPEKDD-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.51
Rot. Bonds3

About 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide

5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide (PubChem CID 61097067) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide
PubChem CID61097067
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide
SMILESCc1nnc(OC(C)C)c(C(N)=S)c1C
InChIInChI=1S/C10H15N3OS/c1-5(2)14-10-8(9(11)15)6(3)7(4)12-13-10/h5H,1-4H3,(H2,11,15)
InChIKeyJVJCXTASZPEKDD-UHFFFAOYSA-N
XLogP1.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.51
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 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide (CID 61097067) is 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide is Cc1nnc(OC(C)C)c(C(N)=S)c1C.
What is the InChIKey of 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide?
The InChIKey is JVJCXTASZPEKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-5(2)14-10-8(9(11)15)6(3)7(4)12-13-10/h5H,1-4H3,(H2,11,15).
What are the key properties of 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide?
5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide has a molecular weight of 225.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide is sourced from PubChem (CID 61097067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).