2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C13H18N4O2 — CID 121313832

IUPAC2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1nc(N2CCC3(CCNCC3)C2=O)ccc1=O
InChIInChI=1S/C13H18N4O2/c1-16-11(18)3-2-10(15-16)17-9-6-13(12(17)19)4-7-14-8-5-13/h2-3,14H,4-9H2,1H3
InChIKeyMDZWBGRDSNZGHF-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.11
Rot. Bonds1

About 2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one

2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 121313832) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID121313832
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1nc(N2CCC3(CCNCC3)C2=O)ccc1=O
InChIInChI=1S/C13H18N4O2/c1-16-11(18)3-2-10(15-16)17-9-6-13(12(17)19)4-7-14-8-5-13/h2-3,14H,4-9H2,1H3
InChIKeyMDZWBGRDSNZGHF-UHFFFAOYSA-N
XLogP-0.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.11
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)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 121313832) is 2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one is Cn1nc(N2CCC3(CCNCC3)C2=O)ccc1=O.
What is the InChIKey of 2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MDZWBGRDSNZGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-11(18)3-2-10(15-16)17-9-6-13(12(17)19)4-7-14-8-5-13/h2-3,14H,4-9H2,1H3.
What are the key properties of 2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 262.31 g/mol, XLogP of -0.11, 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)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 121313832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).