1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione

C15H16N4O3 — CID 167764428

IUPAC1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1-c1cn(CCN2C(=O)CCC2=O)nn1
InChIInChI=1S/C15H16N4O3/c1-22-13-5-3-2-4-11(13)12-10-18(17-16-12)8-9-19-14(20)6-7-15(19)21/h2-5,10H,6-9H2,1H3
InChIKeyLLAOKYOZVGLKFF-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.10
Rot. Bonds5

About 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 167764428) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID167764428
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1-c1cn(CCN2C(=O)CCC2=O)nn1
InChIInChI=1S/C15H16N4O3/c1-22-13-5-3-2-4-11(13)12-10-18(17-16-12)8-9-19-14(20)6-7-15(19)21/h2-5,10H,6-9H2,1H3
InChIKeyLLAOKYOZVGLKFF-UHFFFAOYSA-N
XLogP1.10
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione 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 70674999
CID 70674999
CID 25068481
CID 25068481
CID 44585257
CID 44585257
CID 44585258
CID 44585258
CID 72164949
CID 72164949
CID 19585578
CID 19585578
CID 25258924
CID 25258924
CID 45167556
CID 45167556
CID 53323632
CID 53323632
CID 53323633
CID 53323633
CID 56708793
CID 56708793
CID 56722024
CID 56722024

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione (CID 167764428) is 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione is COc1ccccc1-c1cn(CCN2C(=O)CCC2=O)nn1.
What is the InChIKey of 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is LLAOKYOZVGLKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-13-5-3-2-4-11(13)12-10-18(17-16-12)8-9-19-14(20)6-7-15(19)21/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 300.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 167764428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).