ethyl 6-piperidin-1-ylpyridazine-3-carboxylate

C12H17N3O2 — CID 71778744

IUPACethyl 6-piperidin-1-ylpyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C12H17N3O2/c1-2-17-12(16)10-6-7-11(14-13-10)15-8-4-3-5-9-15/h6-7H,2-5,8-9H2,1H3
InChIKeyUWWZUNHUOWCTDA-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.64
Rot. Bonds3

About ethyl 6-piperidin-1-ylpyridazine-3-carboxylate

ethyl 6-piperidin-1-ylpyridazine-3-carboxylate (PubChem CID 71778744) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethyl 6-piperidin-1-ylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-piperidin-1-ylpyridazine-3-carboxylate
PubChem CID71778744
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethyl 6-piperidin-1-ylpyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C12H17N3O2/c1-2-17-12(16)10-6-7-11(14-13-10)15-8-4-3-5-9-15/h6-7H,2-5,8-9H2,1H3
InChIKeyUWWZUNHUOWCTDA-UHFFFAOYSA-N
XLogP1.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridazinecarboxylic acid, 6-morpholino-, 2-(2-carboxy-1-methylethylidene)hydrazide, ethyl ester
CID 13382920
6-(4-Methylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 20982967
6-(Dimethylamino)-3-pyridazinecarboxylic acid
CID 21328000
Methyl 6-(piperazin-1-yl)pyridazine-3-carboxylate dihydrochloride
CID 71756889
Methyl 6-(4-phenylpiperidin-1-yl)pyridazine-3-carboxylate
CID 71940106
methyl 6-[4-(N-methylanilino)piperidin-1-yl]pyridazine-3-carboxylate
CID 71977949
Methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
CID 75377047
Ethyl 6-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazine-3-carboxylate
CID 134788487
Butyl 6-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazine-3-carboxylate
CID 134790927
6-(Pyrrolidin-1-yl)pyridazine-3-carboxylic acid hydrochloride
CID 47003417
6-(Piperazin-1-yl)pyridazine-3-carboxylic acid hydrochloride
CID 122163377
Methyl 6-(pyrrolidin-1-yl)pyridazine-3-carboxylate
CID 16876478

Frequently Asked Questions

What is the IUPAC name of ethyl 6-piperidin-1-ylpyridazine-3-carboxylate?
The IUPAC name of ethyl 6-piperidin-1-ylpyridazine-3-carboxylate (CID 71778744) is ethyl 6-piperidin-1-ylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-piperidin-1-ylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-piperidin-1-ylpyridazine-3-carboxylate is CCOC(=O)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of ethyl 6-piperidin-1-ylpyridazine-3-carboxylate?
The InChIKey is UWWZUNHUOWCTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-17-12(16)10-6-7-11(14-13-10)15-8-4-3-5-9-15/h6-7H,2-5,8-9H2,1H3.
What are the key properties of ethyl 6-piperidin-1-ylpyridazine-3-carboxylate?
ethyl 6-piperidin-1-ylpyridazine-3-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-piperidin-1-ylpyridazine-3-carboxylate is sourced from PubChem (CID 71778744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).