5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

C6H11N3O — CID 75531182

IUPAC5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CNC2
InChIInChI=1S/C6H11N3O/c1-9-5(10)8-4-6(9)2-7-3-6/h7H,2-4H2,1H3,(H,8,10)
InChIKeyVCSSOKBEBXXSDV-UHFFFAOYSA-N
MW141.17 g/mol
LogP-1.02
Rot. Bonds

About 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one

5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 75531182) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID75531182
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CNC2
InChIInChI=1S/C6H11N3O/c1-9-5(10)8-4-6(9)2-7-3-6/h7H,2-4H2,1H3,(H,8,10)
InChIKeyVCSSOKBEBXXSDV-UHFFFAOYSA-N
XLogP-1.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one (CID 75531182) is 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is CN1C(=O)NCC12CNC2.
What is the InChIKey of 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is VCSSOKBEBXXSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9-5(10)8-4-6(9)2-7-3-6/h7H,2-4H2,1H3,(H,8,10).
What are the key properties of 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one?
5-methyl-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 141.17 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 75531182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).