8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H18N6O3 — CID 166398495

IUPAC8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1cc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)nn1
InChIInChI=1S/C13H18N6O3/c1-18-8-9(16-17-18)2-3-10(20)19-6-4-13(5-7-19)11(21)14-12(22)15-13/h8H,2-7H2,1H3,(H2,14,15,21,22)
InChIKeyMJKSWIMSGFDTND-UHFFFAOYSA-N
MW306.33 g/mol
LogP-1.05
Rot. Bonds3

About 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166398495) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166398495
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCn1cc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)nn1
InChIInChI=1S/C13H18N6O3/c1-18-8-9(16-17-18)2-3-10(20)19-6-4-13(5-7-19)11(21)14-12(22)15-13/h8H,2-7H2,1H3,(H2,14,15,21,22)
InChIKeyMJKSWIMSGFDTND-UHFFFAOYSA-N
XLogP-1.05
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
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 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166398495) is 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cn1cc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)nn1.
What is the InChIKey of 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MJKSWIMSGFDTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-18-8-9(16-17-18)2-3-10(20)19-6-4-13(5-7-19)11(21)14-12(22)15-13/h8H,2-7H2,1H3,(H2,14,15,21,22).
What are the key properties of 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 306.33 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166398495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).