9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one

C13H18N4O — CID 131649510

IUPAC9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(N2CCCC3(CCNC3=O)C2)nn1
InChIInChI=1S/C13H18N4O/c1-10-3-4-11(16-15-10)17-8-2-5-13(9-17)6-7-14-12(13)18/h3-4H,2,5-9H2,1H3,(H,14,18)
InChIKeyZEQKZIASUBRTJL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.89
Rot. Bonds1

About 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one

9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131649510) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131649510
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(N2CCCC3(CCNC3=O)C2)nn1
InChIInChI=1S/C13H18N4O/c1-10-3-4-11(16-15-10)17-8-2-5-13(9-17)6-7-14-12(13)18/h3-4H,2,5-9H2,1H3,(H,14,18)
InChIKeyZEQKZIASUBRTJL-UHFFFAOYSA-N
XLogP0.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 134071339
(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495304
(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97484053
(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one
CID 166682645
1-[(5R)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604888
(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870283
(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one
CID 97489759
(5R)-7-(6-methylpyridazin-3-yl)-2-propyl-2,7-diazaspiro[4.5]decane
CID 97484147
(5S)-9-(6-methylpyridazin-3-yl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 97393463
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
11-methyl-2-(6-methylpyridazin-3-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072674
(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580750

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 131649510) is 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one is Cc1ccc(N2CCCC3(CCNC3=O)C2)nn1.
What is the InChIKey of 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is ZEQKZIASUBRTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-3-4-11(16-15-10)17-8-2-5-13(9-17)6-7-14-12(13)18/h3-4H,2,5-9H2,1H3,(H,14,18).
What are the key properties of 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one?
9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 246.31 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131649510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).