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

C12H17N5O3 — CID 62026759

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

ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate (PubChem CID 62026759) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
• PubChem CID: 62026759
• Molecular Formula: C12H17N5O3
• Molecular Weight: 279.30 g/mol
• Exact Mass: 279.13
• IUPAC Name: ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
• SMILES: CCOC(=O)CN(CC)Cc1cc(=O)n2[nH]cnc2n1
• InChI: InChI=1S/C12H17N5O3/c1-3-16(7-11(19)20-4-2)6-9-5-10(18)17-12(15-9)13-8-14-17/h5,8H,3-4,6-7H2,1-2H3,(H,13,14,15)
• InChIKey: PTQCYVNNNRXRAJ-UHFFFAOYSA-N
• XLogP: -0.20
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.30
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate (CID 62026759) is ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate.

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

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

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

The InChIKey is PTQCYVNNNRXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-3-16(7-11(19)20-4-2)6-9-5-10(18)17-12(15-9)13-8-14-17/h5,8H,3-4,6-7H2,1-2H3,(H,13,14,15).

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

ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate has a molecular weight of 279.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate is sourced from PubChem (CID 62026759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).