5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H14N6O2 — CID 106258393

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

5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 106258393) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

• Compound Name: 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
• PubChem CID: 106258393
• Molecular Formula: C11H14N6O2
• Molecular Weight: 262.27 g/mol
• Exact Mass: 262.12
• IUPAC Name: 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
• SMILES: Cc1nc(NC2CCN(C)C2=O)cc2n[nH]c(=O)n12
• InChI: InChI=1S/C11H14N6O2/c1-6-12-8(5-9-14-15-11(19)17(6)9)13-7-3-4-16(2)10(7)18/h5,7,13H,3-4H2,1-2H3,(H,15,19)
• InChIKey: OPUUAQHKVKKPJD-UHFFFAOYSA-N
• XLogP: -0.63
• TPSA: 95.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.27
LogP ≤ 5	-0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?

The IUPAC name of 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 106258393) is 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

What is the SMILES notation for 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?

The canonical SMILES for 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NC2CCN(C)C2=O)cc2n[nH]c(=O)n12.

What is the InChIKey of 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?

The InChIKey is OPUUAQHKVKKPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-6-12-8(5-9-14-15-11(19)17(6)9)13-7-3-4-16(2)10(7)18/h5,7,13H,3-4H2,1-2H3,(H,15,19).

What are the key properties of 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?

5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 262.27 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 106258393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).