1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione

C11H12N6O3 — CID 66281422

IUPAC1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione
SMILESCc1nc(NC2CC(=O)N(C)C2=O)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H12N6O3/c1-5-12-7(4-8-14-15-11(20)17(5)8)13-6-3-9(18)16(2)10(6)19/h4,6,13H,3H2,1-2H3,(H,15,20)
InChIKeyQPQGEUCZNJVKRU-UHFFFAOYSA-N
MW276.26 g/mol
LogP-1.10
Rot. Bonds2

About 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione

1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione (PubChem CID 66281422) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione
PubChem CID66281422
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione
SMILESCc1nc(NC2CC(=O)N(C)C2=O)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H12N6O3/c1-5-12-7(4-8-14-15-11(20)17(5)8)13-6-3-9(18)16(2)10(6)19/h4,6,13H,3H2,1-2H3,(H,15,20)
InChIKeyQPQGEUCZNJVKRU-UHFFFAOYSA-N
XLogP-1.10
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione (CID 66281422) is 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione is Cc1nc(NC2CC(=O)N(C)C2=O)cc2n[nH]c(=O)n12.
What is the InChIKey of 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is QPQGEUCZNJVKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-5-12-7(4-8-14-15-11(20)17(5)8)13-6-3-9(18)16(2)10(6)19/h4,6,13H,3H2,1-2H3,(H,15,20).
What are the key properties of 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione?
1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 276.26 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 66281422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).