6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide

C15H25N5O3S — CID 109115190

IUPAC6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCN(C)C)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H25N5O3S/c1-4-20(12-7-10-24(22,23)11-12)15(21)13-5-6-14(18-17-13)16-8-9-19(2)3/h5-6,12H,4,7-11H2,1-3H3,(H,16,18)
InChIKeyGOPDXSMSISQKCG-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.10
Rot. Bonds7

About 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide

6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide (PubChem CID 109115190) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
PubChem CID109115190
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCN(C)C)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H25N5O3S/c1-4-20(12-7-10-24(22,23)11-12)15(21)13-5-6-14(18-17-13)16-8-9-19(2)3/h5-6,12H,4,7-11H2,1-3H3,(H,16,18)
InChIKeyGOPDXSMSISQKCG-UHFFFAOYSA-N
XLogP0.10
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111017
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118020
6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109123689
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123703
2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethylpyridine-2,4-dicarboxamide
CID 109084037
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-cyclopropyl-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 62168086
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167188
N-cyclohexyl-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 55042606
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280117

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide (CID 109115190) is 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide is CCN(C(=O)c1ccc(NCCN(C)C)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide?
The InChIKey is GOPDXSMSISQKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-4-20(12-7-10-24(22,23)11-12)15(21)13-5-6-14(18-17-13)16-8-9-19(2)3/h5-6,12H,4,7-11H2,1-3H3,(H,16,18).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide?
6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 109115190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).