2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid

C8H11N3O3 — CID 62936809

IUPAC2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
SMILESO=C(O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C8H11N3O3/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11/h1-5H2,(H,12,13)
InChIKeyOHVFGIAVSNPLBA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.53
Rot. Bonds2

About 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid

2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid (PubChem CID 62936809) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
PubChem CID62936809
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
SMILESO=C(O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C8H11N3O3/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11/h1-5H2,(H,12,13)
InChIKeyOHVFGIAVSNPLBA-UHFFFAOYSA-N
XLogP-0.53
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid (CID 62936809) is 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid is O=C(O)Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid?
The InChIKey is OHVFGIAVSNPLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11/h1-5H2,(H,12,13).
What are the key properties of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid?
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid has a molecular weight of 197.19 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid is sourced from PubChem (CID 62936809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).