6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one

C14H19N3O — CID 14663839

IUPAC6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one
SMILESCC1CCCCC12NC(=O)N(c1ccccc1)N2
InChIInChI=1S/C14H19N3O/c1-11-7-5-6-10-14(11)15-13(18)17(16-14)12-8-3-2-4-9-12/h2-4,8-9,11,16H,5-7,10H2,1H3,(H,15,18)
InChIKeyFZSVBEMYCOZBIE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.63
Rot. Bonds1

About 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one

6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one (PubChem CID 14663839) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one
PubChem CID14663839
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one
SMILESCC1CCCCC12NC(=O)N(c1ccccc1)N2
InChIInChI=1S/C14H19N3O/c1-11-7-5-6-10-14(11)15-13(18)17(16-14)12-8-3-2-4-9-12/h2-4,8-9,11,16H,5-7,10H2,1H3,(H,15,18)
InChIKeyFZSVBEMYCOZBIE-UHFFFAOYSA-N
XLogP2.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one?
The IUPAC name of 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one (CID 14663839) is 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one is CC1CCCCC12NC(=O)N(c1ccccc1)N2.
What is the InChIKey of 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one?
The InChIKey is FZSVBEMYCOZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-7-5-6-10-14(11)15-13(18)17(16-14)12-8-3-2-4-9-12/h2-4,8-9,11,16H,5-7,10H2,1H3,(H,15,18).
What are the key properties of 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one?
6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one has a molecular weight of 245.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 14663839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).