(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one

C14H20N4O — CID 97495304

IUPAC(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(N2CCC[C@@]3(CCCC(=O)N3)C2)nn1
InChIInChI=1S/C14H20N4O/c1-11-5-6-12(17-16-11)18-9-3-8-14(10-18)7-2-4-13(19)15-14/h5-6H,2-4,7-10H2,1H3,(H,15,19)/t14-/m0/s1
InChIKeySGZZXEUBEULAIG-AWEZNQCLSA-N
MW260.34 g/mol
LogP1.42
Rot. Bonds1

About (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one

(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97495304) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97495304
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(N2CCC[C@@]3(CCCC(=O)N3)C2)nn1
InChIInChI=1S/C14H20N4O/c1-11-5-6-12(17-16-11)18-9-3-8-14(10-18)7-2-4-13(19)15-14/h5-6H,2-4,7-10H2,1H3,(H,15,19)/t14-/m0/s1
InChIKeySGZZXEUBEULAIG-AWEZNQCLSA-N
XLogP1.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 131649510
(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580750
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97484053
(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870283
(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
11-methyl-2-(6-methylpyridazin-3-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072674
(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469671
(3S)-3-[(2-methylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxylic acid
CID 95549718
5-azaspiro[3.5]nonan-6-one
CID 138987434
3-methyl-6-(3-methylpiperazin-1-yl)pyridazine
CID 62478379

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one (CID 97495304) is (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one is Cc1ccc(N2CCC[C@@]3(CCCC(=O)N3)C2)nn1.
What is the InChIKey of (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is SGZZXEUBEULAIG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-5-6-12(17-16-11)18-9-3-8-14(10-18)7-2-4-13(19)15-14/h5-6H,2-4,7-10H2,1H3,(H,15,19)/t14-/m0/s1.
What are the key properties of (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one?
(6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97495304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).