2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid

C8H7N3O3 — CID 12585367

IUPAC2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
SMILESO=C(O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C8H7N3O3/c12-7(13)4-11-8(14)6-2-1-3-10(6)5-9-11/h1-3,5H,4H2,(H,12,13)
InChIKeyQFOOTSYBQQIBQK-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.42
Rot. Bonds2

About 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid

2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid (PubChem CID 12585367) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
PubChem CID12585367
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
SMILESO=C(O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C8H7N3O3/c12-7(13)4-11-8(14)6-2-1-3-10(6)5-9-11/h1-3,5H,4H2,(H,12,13)
InChIKeyQFOOTSYBQQIBQK-UHFFFAOYSA-N
XLogP-0.42
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid (CID 12585367) is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid is O=C(O)Cn1ncn2cccc2c1=O.
What is the InChIKey of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The InChIKey is QFOOTSYBQQIBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-7(13)4-11-8(14)6-2-1-3-10(6)5-9-11/h1-3,5H,4H2,(H,12,13).
What are the key properties of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid has a molecular weight of 193.16 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid is sourced from PubChem (CID 12585367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).