8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H15N5O4 — CID 60712418

IUPAC8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1CCC(C(=O)N2CCC3(CC2)NC(=O)NC3=O)=NN1
InChIInChI=1S/C12H15N5O4/c18-8-2-1-7(15-16-8)9(19)17-5-3-12(4-6-17)10(20)13-11(21)14-12/h1-6H2,(H,16,18)(H2,13,14,20,21)
InChIKeyTVQQWGFPLQOFBQ-UHFFFAOYSA-N
MW293.28 g/mol
LogP-1.55
Rot. Bonds1

About 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 60712418) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID60712418
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1CCC(C(=O)N2CCC3(CC2)NC(=O)NC3=O)=NN1
InChIInChI=1S/C12H15N5O4/c18-8-2-1-7(15-16-8)9(19)17-5-3-12(4-6-17)10(20)13-11(21)14-12/h1-6H2,(H,16,18)(H2,13,14,20,21)
InChIKeyTVQQWGFPLQOFBQ-UHFFFAOYSA-N
XLogP-1.55
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-1.55
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 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 60712418) is 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1CCC(C(=O)N2CCC3(CC2)NC(=O)NC3=O)=NN1.
What is the InChIKey of 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is TVQQWGFPLQOFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c18-8-2-1-7(15-16-8)9(19)17-5-3-12(4-6-17)10(20)13-11(21)14-12/h1-6H2,(H,16,18)(H2,13,14,20,21).
What are the key properties of 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 293.28 g/mol, XLogP of -1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 60712418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).