8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

C15H17N5O2 — CID 72925259

IUPAC8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1Cc1nc2ncccn2n1
InChIInChI=1S/C15H17N5O2/c21-12-8-15(4-1-2-5-15)9-13(22)19(12)10-11-17-14-16-6-3-7-20(14)18-11/h3,6-7H,1-2,4-5,8-10H2
InChIKeyRORGRMLFAKGYNY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.33
Rot. Bonds2

About 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 72925259) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID72925259
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1Cc1nc2ncccn2n1
InChIInChI=1S/C15H17N5O2/c21-12-8-15(4-1-2-5-15)9-13(22)19(12)10-11-17-14-16-6-3-7-20(14)18-11/h3,6-7H,1-2,4-5,8-10H2
InChIKeyRORGRMLFAKGYNY-UHFFFAOYSA-N
XLogP1.33
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione (CID 72925259) is 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1Cc1nc2ncccn2n1.
What is the InChIKey of 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is RORGRMLFAKGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-12-8-15(4-1-2-5-15)9-13(22)19(12)10-11-17-14-16-6-3-7-20(14)18-11/h3,6-7H,1-2,4-5,8-10H2.
What are the key properties of 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 299.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 72925259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).