5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one

C14H22N4O — CID 121313999

IUPAC5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC3(CCNCC3)CC2)cc1=O
InChIInChI=1S/C14H22N4O/c1-17-13(19)10-12(11-16-17)18-8-4-14(5-9-18)2-6-15-7-3-14/h10-11,15H,2-9H2,1H3
InChIKeyWKKYTNSSDPBBOU-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.75
Rot. Bonds1

About 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one

5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one (PubChem CID 121313999) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one
PubChem CID121313999
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC3(CCNCC3)CC2)cc1=O
InChIInChI=1S/C14H22N4O/c1-17-13(19)10-12(11-16-17)18-8-4-14(5-9-18)2-6-15-7-3-14/h10-11,15H,2-9H2,1H3
InChIKeyWKKYTNSSDPBBOU-UHFFFAOYSA-N
XLogP0.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one?
The IUPAC name of 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one (CID 121313999) is 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one is Cn1ncc(N2CCC3(CCNCC3)CC2)cc1=O.
What is the InChIKey of 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one?
The InChIKey is WKKYTNSSDPBBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-13(19)10-12(11-16-17)18-8-4-14(5-9-18)2-6-15-7-3-14/h10-11,15H,2-9H2,1H3.
What are the key properties of 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one?
5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one has a molecular weight of 262.36 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 121313999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).