2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone

C15H21N3O2 — CID 71873411

IUPAC2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCCC3)C2)nn1
InChIInChI=1S/C15H21N3O2/c1-20-13-6-5-12(16-17-13)14(19)18-10-9-15(11-18)7-3-2-4-8-15/h5-6H,2-4,7-11H2,1H3
InChIKeyDETCDIIECSEQAY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds2

About 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone

2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone (PubChem CID 71873411) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone
PubChem CID71873411
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCCC3)C2)nn1
InChIInChI=1S/C15H21N3O2/c1-20-13-6-5-12(16-17-13)14(19)18-10-9-15(11-18)7-3-2-4-8-15/h5-6H,2-4,7-11H2,1H3
InChIKeyDETCDIIECSEQAY-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
CID 139006520
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
CID 71873410
[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone
CID 98187752
methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
CID 75374215
(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 136564099
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234002
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
2-azaspiro[4.5]decan-2-yl-(7-chloro-4-methoxy-1H-indol-2-yl)methanone
CID 167229545
3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641203

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone (CID 71873411) is 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)N2CCC3(CCCCC3)C2)nn1.
What is the InChIKey of 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is DETCDIIECSEQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-13-6-5-12(16-17-13)14(19)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 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone?
2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 71873411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).