3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione

C11H12N6O3 — CID 66281424

IUPAC3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione
SMILESCc1nc(NC2CCC(=O)NC2=O)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H12N6O3/c1-5-12-7(4-8-15-16-11(20)17(5)8)13-6-2-3-9(18)14-10(6)19/h4,6,13H,2-3H2,1H3,(H,16,20)(H,14,18,19)
InChIKeyYEAWHKGCXWVBKU-UHFFFAOYSA-N
MW276.26 g/mol
LogP-1.06
Rot. Bonds2

About 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione

3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione (PubChem CID 66281424) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione
PubChem CID66281424
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione
SMILESCc1nc(NC2CCC(=O)NC2=O)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H12N6O3/c1-5-12-7(4-8-15-16-11(20)17(5)8)13-6-2-3-9(18)14-10(6)19/h4,6,13H,2-3H2,1H3,(H,16,20)(H,14,18,19)
InChIKeyYEAWHKGCXWVBKU-UHFFFAOYSA-N
XLogP-1.06
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
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 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione (CID 66281424) is 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione is Cc1nc(NC2CCC(=O)NC2=O)cc2n[nH]c(=O)n12.
What is the InChIKey of 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione?
The InChIKey is YEAWHKGCXWVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-5-12-7(4-8-15-16-11(20)17(5)8)13-6-2-3-9(18)14-10(6)19/h4,6,13H,2-3H2,1H3,(H,16,20)(H,14,18,19).
What are the key properties of 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione?
3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione has a molecular weight of 276.26 g/mol, XLogP of -1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 66281424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).