methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate

C15H22N4O2 — CID 102850684

IUPACmethyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC3(CCCNC3)C2)nn1
InChIInChI=1S/C15H22N4O2/c1-21-14(20)12-4-5-13(18-17-12)19-9-3-7-15(11-19)6-2-8-16-10-15/h4-5,16H,2-3,6-11H2,1H3
InChIKeyOABFGXAPYGCIDA-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.23
Rot. Bonds2

About methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate

methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate (PubChem CID 102850684) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate
PubChem CID102850684
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Namemethyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC3(CCCNC3)C2)nn1
InChIInChI=1S/C15H22N4O2/c1-21-14(20)12-4-5-13(18-17-12)19-9-3-7-15(11-19)6-2-8-16-10-15/h4-5,16H,2-3,6-11H2,1H3
InChIKeyOABFGXAPYGCIDA-UHFFFAOYSA-N
XLogP1.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
CID 75374215
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate
CID 102850104
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
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
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 82038036

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate (CID 102850684) is methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCCC3(CCCNC3)C2)nn1.
What is the InChIKey of methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate?
The InChIKey is OABFGXAPYGCIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-14(20)12-4-5-13(18-17-12)19-9-3-7-15(11-19)6-2-8-16-10-15/h4-5,16H,2-3,6-11H2,1H3.
What are the key properties of methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate?
methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 102850684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).