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

C14H20N4O2 — CID 121313994

IUPAC(3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CC2(CCNCC2)C(=O)N1c1ccc(=O)n(C)n1
InChIInChI=1S/C14H20N4O2/c1-10-9-14(5-7-15-8-6-14)13(20)18(10)11-3-4-12(19)17(2)16-11/h3-4,10,15H,5-9H2,1-2H3/t10-/m0/s1
InChIKeyNLJQLMNIMONZDU-JTQLQIEISA-N
MW276.34 g/mol
LogP0.28
Rot. Bonds1

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

(3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 121313994) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID121313994
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CC2(CCNCC2)C(=O)N1c1ccc(=O)n(C)n1
InChIInChI=1S/C14H20N4O2/c1-10-9-14(5-7-15-8-6-14)13(20)18(10)11-3-4-12(19)17(2)16-11/h3-4,10,15H,5-9H2,1-2H3/t10-/m0/s1
InChIKeyNLJQLMNIMONZDU-JTQLQIEISA-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 (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 121313994) is (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one is C[C@H]1CC2(CCNCC2)C(=O)N1c1ccc(=O)n(C)n1.
What is the InChIKey of (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NLJQLMNIMONZDU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-9-14(5-7-15-8-6-14)13(20)18(10)11-3-4-12(19)17(2)16-11/h3-4,10,15H,5-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
(3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-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 (3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 121313994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).