5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide

C18H21N5O2 — CID 166302288

IUPAC5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide
SMILESO=C(NCCn1cc(-c2ccccc2)nn1)C1CCC2CCC(=O)N21
InChIInChI=1S/C18H21N5O2/c24-17-9-7-14-6-8-16(23(14)17)18(25)19-10-11-22-12-15(20-21-22)13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2,(H,19,25)
InChIKeyWVUGBIRALUSODE-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.21
Rot. Bonds5

About 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide

5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide (PubChem CID 166302288) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide
PubChem CID166302288
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide
SMILESO=C(NCCn1cc(-c2ccccc2)nn1)C1CCC2CCC(=O)N21
InChIInChI=1S/C18H21N5O2/c24-17-9-7-14-6-8-16(23(14)17)18(25)19-10-11-22-12-15(20-21-22)13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2,(H,19,25)
InChIKeyWVUGBIRALUSODE-UHFFFAOYSA-N
XLogP1.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide 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 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide?
The IUPAC name of 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide (CID 166302288) is 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide is O=C(NCCn1cc(-c2ccccc2)nn1)C1CCC2CCC(=O)N21.
What is the InChIKey of 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide?
The InChIKey is WVUGBIRALUSODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-9-7-14-6-8-16(23(14)17)18(25)19-10-11-22-12-15(20-21-22)13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2,(H,19,25).
What are the key properties of 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide?
5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxamide is sourced from PubChem (CID 166302288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).