3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione

C13H20N4O2 — CID 128836929

IUPAC3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCCn1nnc(C)c1CN1C(=O)CC(C)(CC)C1=O
InChIInChI=1S/C13H20N4O2/c1-5-13(4)7-11(18)16(12(13)19)8-10-9(3)14-15-17(10)6-2/h5-8H2,1-4H3
InChIKeyGKPBFYOPIVUUEN-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.28
Rot. Bonds4

About 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione

3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 128836929) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID128836929
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCCn1nnc(C)c1CN1C(=O)CC(C)(CC)C1=O
InChIInChI=1S/C13H20N4O2/c1-5-13(4)7-11(18)16(12(13)19)8-10-9(3)14-15-17(10)6-2/h5-8H2,1-4H3
InChIKeyGKPBFYOPIVUUEN-UHFFFAOYSA-N
XLogP1.28
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione (CID 128836929) is 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione is CCn1nnc(C)c1CN1C(=O)CC(C)(CC)C1=O.
What is the InChIKey of 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is GKPBFYOPIVUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-5-13(4)7-11(18)16(12(13)19)8-10-9(3)14-15-17(10)6-2/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 128836929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).