methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate

C15H21N3O2 — CID 75374215

IUPACmethyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CCCCC3)C2)nn1
InChIInChI=1S/C15H21N3O2/c1-20-14(19)12-5-6-13(17-16-12)18-10-9-15(11-18)7-3-2-4-8-15/h5-6H,2-4,7-11H2,1H3
InChIKeyHATWQGNGOKFDPC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.42
Rot. Bonds2

About methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate

methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate (PubChem CID 75374215) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
PubChem CID75374215
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namemethyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CCCCC3)C2)nn1
InChIInChI=1S/C15H21N3O2/c1-20-14(19)12-5-6-13(17-16-12)18-10-9-15(11-18)7-3-2-4-8-15/h5-6H,2-4,7-11H2,1H3
InChIKeyHATWQGNGOKFDPC-UHFFFAOYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate
CID 102850684
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
[6-(2-azaspiro[4.5]decan-2-yl)pyridazin-3-yl]methanamine
CID 114279559
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
CID 115424343
2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone
CID 71873411
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate
CID 167935467

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate (CID 75374215) is methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCC3(CCCCC3)C2)nn1.
What is the InChIKey of methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate?
The InChIKey is HATWQGNGOKFDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-14(19)12-5-6-13(17-16-12)18-10-9-15(11-18)7-3-2-4-8-15/h5-6H,2-4,7-11H2,1H3.
What are the key properties of methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate?
methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 75374215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).