2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid

C7H6N4O3 — CID 66273458

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
SMILESO=C(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C7H6N4O3/c12-6(13)4-11-7(14)10-2-1-8-3-5(10)9-11/h1-3H,4H2,(H,12,13)
InChIKeySWBDYGHPFYMHLS-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.02
Rot. Bonds2

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid (PubChem CID 66273458) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
PubChem CID66273458
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
SMILESO=C(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C7H6N4O3/c12-6(13)4-11-7(14)10-2-1-8-3-5(10)9-11/h1-3H,4H2,(H,12,13)
InChIKeySWBDYGHPFYMHLS-UHFFFAOYSA-N
XLogP-1.02
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid (CID 66273458) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid is O=C(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid?
The InChIKey is SWBDYGHPFYMHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-6(13)4-11-7(14)10-2-1-8-3-5(10)9-11/h1-3H,4H2,(H,12,13).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid has a molecular weight of 194.15 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid is sourced from PubChem (CID 66273458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).