1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione

C12H17N5O2 — CID 80683011

IUPAC1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCn1cnc(CCNC2CC(=O)N(C3CC3)C2=O)n1
InChIInChI=1S/C12H17N5O2/c1-16-7-14-10(15-16)4-5-13-9-6-11(18)17(12(9)19)8-2-3-8/h7-9,13H,2-6H2,1H3
InChIKeyAEIBRISQBDJCDT-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.76
Rot. Bonds5

About 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 80683011) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID80683011
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCn1cnc(CCNC2CC(=O)N(C3CC3)C2=O)n1
InChIInChI=1S/C12H17N5O2/c1-16-7-14-10(15-16)4-5-13-9-6-11(18)17(12(9)19)8-2-3-8/h7-9,13H,2-6H2,1H3
InChIKeyAEIBRISQBDJCDT-UHFFFAOYSA-N
XLogP-0.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione (CID 80683011) is 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione is Cn1cnc(CCNC2CC(=O)N(C3CC3)C2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is AEIBRISQBDJCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-16-7-14-10(15-16)4-5-13-9-6-11(18)17(12(9)19)8-2-3-8/h7-9,13H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 263.30 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 80683011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).