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

C13H17N5O4 — CID 110742225

IUPAC3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(C(=O)C3=NNC(=O)CC3)CC2)C1=O
InChIInChI=1S/C13H17N5O4/c1-17-11(21)13(14-12(17)22)4-6-18(7-5-13)10(20)8-2-3-9(19)16-15-8/h2-7H2,1H3,(H,14,22)(H,16,19)
InChIKeyLAEPAEJPPIMTJC-UHFFFAOYSA-N
MW307.31 g/mol
LogP-1.20
Rot. Bonds1

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

3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110742225) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110742225
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(C(=O)C3=NNC(=O)CC3)CC2)C1=O
InChIInChI=1S/C13H17N5O4/c1-17-11(21)13(14-12(17)22)4-6-18(7-5-13)10(20)8-2-3-9(19)16-15-8/h2-7H2,1H3,(H,14,22)(H,16,19)
InChIKeyLAEPAEJPPIMTJC-UHFFFAOYSA-N
XLogP-1.20
TPSA111.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
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 3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110742225) is 3-methyl-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 3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CCN(C(=O)C3=NNC(=O)CC3)CC2)C1=O.
What is the InChIKey of 3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LAEPAEJPPIMTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-17-11(21)13(14-12(17)22)4-6-18(7-5-13)10(20)8-2-3-9(19)16-15-8/h2-7H2,1H3,(H,14,22)(H,16,19).
What are the key properties of 3-methyl-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-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 307.31 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-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 110742225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).