6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H19N5O3 — CID 3000188

IUPAC6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCCC12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O
InChIInChI=1S/C17H19N5O3/c1-11-6-4-5-9-17(11)15(24)21(16(25)18-17)10-22-14(23)12-7-2-3-8-13(12)19-20-22/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,25)
InChIKeyRGBHSFBRFKIRLW-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.25
Rot. Bonds2

About 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 3000188) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID3000188
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCCC12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O
InChIInChI=1S/C17H19N5O3/c1-11-6-4-5-9-17(11)15(24)21(16(25)18-17)10-22-14(23)12-7-2-3-8-13(12)19-20-22/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,25)
InChIKeyRGBHSFBRFKIRLW-UHFFFAOYSA-N
XLogP1.25
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 3000188) is 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCCC12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O.
What is the InChIKey of 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RGBHSFBRFKIRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-6-4-5-9-17(11)15(24)21(16(25)18-17)10-22-14(23)12-7-2-3-8-13(12)19-20-22/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,25).
What are the key properties of 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 3000188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).