2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid

C5H6N4O3 — CID 54517264

IUPAC2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid
SMILESNc1cnn(CC(=O)O)c(=O)n1
InChIInChI=1S/C5H6N4O3/c6-3-1-7-9(2-4(10)11)5(12)8-3/h1H,2H2,(H,10,11)(H2,6,8,12)
InChIKeyYNGNHTPANRSXDD-UHFFFAOYSA-N
MW170.13 g/mol
LogP-1.69
Rot. Bonds2

About 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid

2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid (PubChem CID 54517264) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid
PubChem CID54517264
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid
SMILESNc1cnn(CC(=O)O)c(=O)n1
InChIInChI=1S/C5H6N4O3/c6-3-1-7-9(2-4(10)11)5(12)8-3/h1H,2H2,(H,10,11)(H2,6,8,12)
InChIKeyYNGNHTPANRSXDD-UHFFFAOYSA-N
XLogP-1.69
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid?
The IUPAC name of 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid (CID 54517264) is 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid?
The canonical SMILES for 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid is Nc1cnn(CC(=O)O)c(=O)n1.
What is the InChIKey of 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid?
The InChIKey is YNGNHTPANRSXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c6-3-1-7-9(2-4(10)11)5(12)8-3/h1H,2H2,(H,10,11)(H2,6,8,12).
What are the key properties of 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid?
2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid has a molecular weight of 170.13 g/mol, XLogP of -1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-oxo-1,2,4-triazin-2-yl)acetic acid is sourced from PubChem (CID 54517264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).