2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid

C9H12N4O4 — CID 64575394

About 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid

2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid (PubChem CID 64575394) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid
• PubChem CID: 64575394
• Molecular Formula: C9H12N4O4
• Molecular Weight: 240.22 g/mol
• Exact Mass: 240.09
• IUPAC Name: 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid
• SMILES: O=C(O)COCC(=O)N1CCn2cnnc2C1
• InChI: InChI=1S/C9H12N4O4/c14-8(4-17-5-9(15)16)12-1-2-13-6-10-11-7(13)3-12/h6H,1-5H2,(H,15,16)
• InChIKey: UCFRTCNHOPVCGM-UHFFFAOYSA-N
• XLogP: -1.28
• TPSA: 97.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.22
LogP ≤ 5	-1.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid?

The IUPAC name of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid (CID 64575394) is 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid.

What is the SMILES notation for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid?

The canonical SMILES for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)N1CCn2cnnc2C1.

What is the InChIKey of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid?

The InChIKey is UCFRTCNHOPVCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c14-8(4-17-5-9(15)16)12-1-2-13-6-10-11-7(13)3-12/h6H,1-5H2,(H,15,16).

What are the key properties of 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid?

2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid has a molecular weight of 240.22 g/mol, XLogP of -1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 64575394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).