3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one

C15H22N4O2 — CID 56720713

IUPAC3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCC2(CCNCC2)CC1
InChIInChI=1S/C15H22N4O2/c20-13-3-2-12(17-18-13)14(21)19-10-1-4-15(7-11-19)5-8-16-9-6-15/h2-3,16H,1,4-11H2,(H,18,20)
InChIKeySYFJQEAMJSTMPT-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.77
Rot. Bonds1

About 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one

3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one (PubChem CID 56720713) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one
PubChem CID56720713
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCC2(CCNCC2)CC1
InChIInChI=1S/C15H22N4O2/c20-13-3-2-12(17-18-13)14(21)19-10-1-4-15(7-11-19)5-8-16-9-6-15/h2-3,16H,1,4-11H2,(H,18,20)
InChIKeySYFJQEAMJSTMPT-UHFFFAOYSA-N
XLogP0.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one (CID 56720713) is 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCCC2(CCNCC2)CC1.
What is the InChIKey of 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one?
The InChIKey is SYFJQEAMJSTMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-13-3-2-12(17-18-13)14(21)19-10-1-4-15(7-11-19)5-8-16-9-6-15/h2-3,16H,1,4-11H2,(H,18,20).
What are the key properties of 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one?
3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one has a molecular weight of 290.37 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 56720713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).