1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone

C16H21N3O — CID 10912628

IUPAC1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone
SMILESCC(=O)C1=NC2(CCCCCC2)N(c2ccccc2)N1
InChIInChI=1S/C16H21N3O/c1-13(20)15-17-16(11-7-2-3-8-12-16)19(18-15)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,17,18)
InChIKeyAUCDIQITBOZXHR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.05
Rot. Bonds2

About 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone

1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone (PubChem CID 10912628) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone
PubChem CID10912628
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone
SMILESCC(=O)C1=NC2(CCCCCC2)N(c2ccccc2)N1
InChIInChI=1S/C16H21N3O/c1-13(20)15-17-16(11-7-2-3-8-12-16)19(18-15)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,17,18)
InChIKeyAUCDIQITBOZXHR-UHFFFAOYSA-N
XLogP3.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone?
The IUPAC name of 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone (CID 10912628) is 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone.
What is the SMILES notation for 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone?
The canonical SMILES for 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone is CC(=O)C1=NC2(CCCCCC2)N(c2ccccc2)N1.
What is the InChIKey of 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone?
The InChIKey is AUCDIQITBOZXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(20)15-17-16(11-7-2-3-8-12-16)19(18-15)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,17,18).
What are the key properties of 1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone?
1-(1-phenyl-1,2,4-triazaspiro[4.6]undec-3-en-3-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 3.05, 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[4.6]undec-3-en-3-yl)ethanone is sourced from PubChem (CID 10912628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).