6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide

C12H18N4O3S — CID 62174844

IUPAC6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)nn1
InChIInChI=1S/C12H18N4O3S/c1-3-13-10-5-4-9(15-16-10)11(17)14-12(2)6-7-20(18,19)8-12/h4-5H,3,6-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyZGNQUWSUOMJSOE-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.22
Rot. Bonds4

About 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide

6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (PubChem CID 62174844) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
PubChem CID62174844
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)nn1
InChIInChI=1S/C12H18N4O3S/c1-3-13-10-5-4-9(15-16-10)11(17)14-12(2)6-7-20(18,19)8-12/h4-5H,3,6-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyZGNQUWSUOMJSOE-UHFFFAOYSA-N
XLogP0.22
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (CID 62174844) is 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is CCNc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)nn1.
What is the InChIKey of 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The InChIKey is ZGNQUWSUOMJSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-13-10-5-4-9(15-16-10)11(17)14-12(2)6-7-20(18,19)8-12/h4-5H,3,6-8H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 62174844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).