1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone

C16H24N4O — CID 104671543

IUPAC1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC23CCCCC3)c(C)nn1
InChIInChI=1S/C16H24N4O/c1-12-10-14(13(2)19-18-12)15(21)20-9-8-17-11-16(20)6-4-3-5-7-16/h10,17H,3-9,11H2,1-2H3
InChIKeyOMYPPRFRFBSXGJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.84
Rot. Bonds1

About 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone

1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone (PubChem CID 104671543) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone
PubChem CID104671543
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC23CCCCC3)c(C)nn1
InChIInChI=1S/C16H24N4O/c1-12-10-14(13(2)19-18-12)15(21)20-9-8-17-11-16(20)6-4-3-5-7-16/h10,17H,3-9,11H2,1-2H3
InChIKeyOMYPPRFRFBSXGJ-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone?
The IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone (CID 104671543) is 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone.
What is the SMILES notation for 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone?
The canonical SMILES for 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone is Cc1cc(C(=O)N2CCNCC23CCCCC3)c(C)nn1.
What is the InChIKey of 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone?
The InChIKey is OMYPPRFRFBSXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-10-14(13(2)19-18-12)15(21)20-9-8-17-11-16(20)6-4-3-5-7-16/h10,17H,3-9,11H2,1-2H3.
What are the key properties of 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone?
1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone is sourced from PubChem (CID 104671543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).