9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one

C14H18N4O2 — CID 97450518

IUPAC9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(C(=O)c3ccnnc3)CC2)N1
InChIInChI=1S/C14H18N4O2/c19-12-2-1-4-14(17-12)5-8-18(9-6-14)13(20)11-3-7-15-16-10-11/h3,7,10H,1-2,4-6,8-9H2,(H,17,19)
InChIKeyVWZBPUPHGJCASK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.75
Rot. Bonds1

About 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one

9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 97450518) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID97450518
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(C(=O)c3ccnnc3)CC2)N1
InChIInChI=1S/C14H18N4O2/c19-12-2-1-4-14(17-12)5-8-18(9-6-14)13(20)11-3-7-15-16-10-11/h3,7,10H,1-2,4-6,8-9H2,(H,17,19)
InChIKeyVWZBPUPHGJCASK-UHFFFAOYSA-N
XLogP0.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370792
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 97450527
(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452785
(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484681
1-(pyridazine-4-carbonyl)piperidin-3-one
CID 104670556
9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
CID 97370786
(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484678
8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
CID 90653687
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155

Frequently Asked Questions

What is the IUPAC name of 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one (CID 97450518) is 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one is O=C1CCCC2(CCN(C(=O)c3ccnnc3)CC2)N1.
What is the InChIKey of 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is VWZBPUPHGJCASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-12-2-1-4-14(17-12)5-8-18(9-6-14)13(20)11-3-7-15-16-10-11/h3,7,10H,1-2,4-6,8-9H2,(H,17,19).
What are the key properties of 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one?
9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 274.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97450518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).