7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C11H13N5O4 — CID 78996258

IUPAC7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1CCC(C(=O)N2CCC3(C2)NC(=O)NC3=O)=NN1
InChIInChI=1S/C11H13N5O4/c17-7-2-1-6(14-15-7)8(18)16-4-3-11(5-16)9(19)12-10(20)13-11/h1-5H2,(H,15,17)(H2,12,13,19,20)
InChIKeyUKUSLNTUMICMII-UHFFFAOYSA-N
MW279.26 g/mol
LogP-1.94
Rot. Bonds1

About 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996258) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996258
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1CCC(C(=O)N2CCC3(C2)NC(=O)NC3=O)=NN1
InChIInChI=1S/C11H13N5O4/c17-7-2-1-6(14-15-7)8(18)16-4-3-11(5-16)9(19)12-10(20)13-11/h1-5H2,(H,15,17)(H2,12,13,19,20)
InChIKeyUKUSLNTUMICMII-UHFFFAOYSA-N
XLogP-1.94
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996258) is 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1CCC(C(=O)N2CCC3(C2)NC(=O)NC3=O)=NN1.
What is the InChIKey of 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is UKUSLNTUMICMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c17-7-2-1-6(14-15-7)8(18)16-4-3-11(5-16)9(19)12-10(20)13-11/h1-5H2,(H,15,17)(H2,12,13,19,20).
What are the key properties of 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 279.26 g/mol, XLogP of -1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).