1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone

C15H19N3O — CID 102270446

IUPAC1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone
SMILESCC(=O)C1=NC2(CCCCC2)N(c2ccccc2)N1
InChIInChI=1S/C15H19N3O/c1-12(19)14-16-15(10-6-3-7-11-15)18(17-14)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyORUCDQVVWRBMSC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.66
Rot. Bonds2

About 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone

1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone (PubChem CID 102270446) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone
PubChem CID102270446
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone
SMILESCC(=O)C1=NC2(CCCCC2)N(c2ccccc2)N1
InChIInChI=1S/C15H19N3O/c1-12(19)14-16-15(10-6-3-7-11-15)18(17-14)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyORUCDQVVWRBMSC-UHFFFAOYSA-N
XLogP2.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone?
The IUPAC name of 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone (CID 102270446) is 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone.
What is the SMILES notation for 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone?
The canonical SMILES for 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone is CC(=O)C1=NC2(CCCCC2)N(c2ccccc2)N1.
What is the InChIKey of 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone?
The InChIKey is ORUCDQVVWRBMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(19)14-16-15(10-6-3-7-11-15)18(17-14)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone?
1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-1,2,4-triazaspiro[4.5]dec-3-en-3-yl)ethanone is sourced from PubChem (CID 102270446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).