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

C13H17N3O — CID 1473313

IUPAC2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one
SMILESO=C1NC2(CCCCC2)NN1c1ccccc1
InChIInChI=1S/C13H17N3O/c17-12-14-13(9-5-2-6-10-13)15-16(12)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,14,17)
InChIKeyBFHVGNXZDRUBPV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.38
Rot. Bonds1

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

2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one (PubChem CID 1473313) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one
PubChem CID1473313
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one
SMILESO=C1NC2(CCCCC2)NN1c1ccccc1
InChIInChI=1S/C13H17N3O/c17-12-14-13(9-5-2-6-10-13)15-16(12)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,14,17)
InChIKeyBFHVGNXZDRUBPV-UHFFFAOYSA-N
XLogP2.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 7595
CID 7595
CID 85229
CID 85229
CID 10837
CID 10837
CID 135496810
CID 135496810
CID 69299
CID 69299
CID 79505
CID 79505
CID 749973
CID 749973
CID 226638
CID 226638
CID 320007
CID 320007
CID 2731672
CID 2731672
CID 2830487
CID 2830487
CID 552344
CID 552344

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one (CID 1473313) is 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one is O=C1NC2(CCCCC2)NN1c1ccccc1.
What is the InChIKey of 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one?
The InChIKey is BFHVGNXZDRUBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-12-14-13(9-5-2-6-10-13)15-16(12)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,14,17).
What are the key properties of 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one?
2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one has a molecular weight of 231.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2,4-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 1473313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).