ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate

C11H15N5O3 — CID 62012962

About ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate

ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate (PubChem CID 62012962) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
• PubChem CID: 62012962
• Molecular Formula: C11H15N5O3
• Molecular Weight: 265.27 g/mol
• Exact Mass: 265.12
• IUPAC Name: ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
• SMILES: CCOC(=O)CN(C)Cc1cc(=O)n2[nH]cnc2n1
• InChI: InChI=1S/C11H15N5O3/c1-3-19-10(18)6-15(2)5-8-4-9(17)16-11(14-8)12-7-13-16/h4,7H,3,5-6H2,1-2H3,(H,12,13,14)
• InChIKey: OPKRYVGPFPQXQS-UHFFFAOYSA-N
• XLogP: -0.59
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.27
LogP ≤ 5	-0.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate?

The IUPAC name of ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate (CID 62012962) is ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate.

What is the SMILES notation for ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate?

The canonical SMILES for ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate is CCOC(=O)CN(C)Cc1cc(=O)n2[nH]cnc2n1.

What is the InChIKey of ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate?

The InChIKey is OPKRYVGPFPQXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-3-19-10(18)6-15(2)5-8-4-9(17)16-11(14-8)12-7-13-16/h4,7H,3,5-6H2,1-2H3,(H,12,13,14).

What are the key properties of ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate?

ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate has a molecular weight of 265.27 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate is sourced from PubChem (CID 62012962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).