2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one

C14H20N4O2 — CID 130465563

IUPAC2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCn1nc(N2CCCC3(CCNCC3)C2=O)ccc1=O
InChIInChI=1S/C14H20N4O2/c1-17-12(19)4-3-11(16-17)18-10-2-5-14(13(18)20)6-8-15-9-7-14/h3-4,15H,2,5-10H2,1H3
InChIKeyBISFAOLFLLGSEZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.28
Rot. Bonds1

About 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one

2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 130465563) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID130465563
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCn1nc(N2CCCC3(CCNCC3)C2=O)ccc1=O
InChIInChI=1S/C14H20N4O2/c1-17-12(19)4-3-11(16-17)18-10-2-5-14(13(18)20)6-8-15-9-7-14/h3-4,15H,2,5-10H2,1H3
InChIKeyBISFAOLFLLGSEZ-UHFFFAOYSA-N
XLogP0.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one (CID 130465563) is 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one is Cn1nc(N2CCCC3(CCNCC3)C2=O)ccc1=O.
What is the InChIKey of 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is BISFAOLFLLGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-12(19)4-3-11(16-17)18-10-2-5-14(13(18)20)6-8-15-9-7-14/h3-4,15H,2,5-10H2,1H3.
What are the key properties of 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one?
2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 276.34 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 130465563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).