ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate

C16H26N6O3 — CID 109115372

IUPACethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NCCN(C)C)nn2)CC1
InChIInChI=1S/C16H26N6O3/c1-4-25-16(24)22-11-9-21(10-12-22)14-6-5-13(18-19-14)15(23)17-7-8-20(2)3/h5-6H,4,7-12H2,1-3H3,(H,17,23)
InChIKeyJYVRVJHJKNHJOH-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.05
Rot. Bonds6

About ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate

ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 109115372) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
PubChem CID109115372
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Nameethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)NCCN(C)C)nn2)CC1
InChIInChI=1S/C16H26N6O3/c1-4-25-16(24)22-11-9-21(10-12-22)14-6-5-13(18-19-14)15(23)17-7-8-20(2)3/h5-6H,4,7-12H2,1-3H3,(H,17,23)
InChIKeyJYVRVJHJKNHJOH-UHFFFAOYSA-N
XLogP0.05
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2-METHYLCYCLOHEXANECARBONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11338533
6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
N-cyclohexyl-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463729
N-cyclohexyl-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
CID 141463762
6-[4-(2-TRIFLUOROMETHYLCYCLOPROPANECARBONYL)PIPERAZIN-1-YL]-PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11258405
6-[Cyclobutyl(methyl)amino]pyridazine-3-carboxamide
CID 75377045
N-cyclohexyl-6-morpholinopyridazine-3-carboxamide
CID 109112982
US11591331, Example 61
CID 167845001
3-Pyridazinecarboxylic acid, 6-morpholino-, 2-(2-carboxy-1-methylethylidene)hydrazide, ethyl ester
CID 13382920
[6-(Dimethylamino)pyridazin-3-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 53579751
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 53590130
2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
CID 53618094

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate (CID 109115372) is ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)NCCN(C)C)nn2)CC1.
What is the InChIKey of ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is JYVRVJHJKNHJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-4-25-16(24)22-11-9-21(10-12-22)14-6-5-13(18-19-14)15(23)17-7-8-20(2)3/h5-6H,4,7-12H2,1-3H3,(H,17,23).
What are the key properties of ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate?
ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109115372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).