6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide

C9H14N4O2S — CID 115667657

IUPAC6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide
SMILESCCS(=O)CCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C9H14N4O2S/c1-2-16(15)6-5-11-8-4-3-7(9(10)14)12-13-8/h3-4H,2,5-6H2,1H3,(H2,10,14)(H,11,13)
InChIKeyVWXBFEZKNOOORP-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.24
Rot. Bonds6

About 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide

6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide (PubChem CID 115667657) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide
PubChem CID115667657
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide
SMILESCCS(=O)CCNc1ccc(C(N)=O)nn1
InChIInChI=1S/C9H14N4O2S/c1-2-16(15)6-5-11-8-4-3-7(9(10)14)12-13-8/h3-4H,2,5-6H2,1H3,(H2,10,14)(H,11,13)
InChIKeyVWXBFEZKNOOORP-UHFFFAOYSA-N
XLogP-0.24
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide (CID 115667657) is 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide is CCS(=O)CCNc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide?
The InChIKey is VWXBFEZKNOOORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-2-16(15)6-5-11-8-4-3-7(9(10)14)12-13-8/h3-4H,2,5-6H2,1H3,(H2,10,14)(H,11,13).
What are the key properties of 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide?
6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide has a molecular weight of 242.30 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 115667657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).