3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide

C12H20N4S — CID 61098045

IUPAC3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
SMILESCCCN(CC)c1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C12H20N4S/c1-5-7-16(6-2)12-10(11(13)17)8(3)9(4)14-15-12/h5-7H2,1-4H3,(H2,13,17)
InChIKeyFNYBGBHFDDVKNY-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.96
Rot. Bonds5

About 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide

3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide (PubChem CID 61098045) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
PubChem CID61098045
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
SMILESCCCN(CC)c1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C12H20N4S/c1-5-7-16(6-2)12-10(11(13)17)8(3)9(4)14-15-12/h5-7H2,1-4H3,(H2,13,17)
InChIKeyFNYBGBHFDDVKNY-UHFFFAOYSA-N
XLogP1.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.96
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-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The IUPAC name of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide (CID 61098045) is 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide.
What is the SMILES notation for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The canonical SMILES for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide is CCCN(CC)c1nnc(C)c(C)c1C(N)=S.
What is the InChIKey of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The InChIKey is FNYBGBHFDDVKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-5-7-16(6-2)12-10(11(13)17)8(3)9(4)14-15-12/h5-7H2,1-4H3,(H2,13,17).
What are the key properties of 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide has a molecular weight of 252.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide is sourced from PubChem (CID 61098045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).