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

C10H15N3O3 — CID 82235965

IUPAC2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nc2n(c1=O)CCCC2
InChIInChI=1S/C10H15N3O3/c1-10(2,8(14)15)13-9(16)12-6-4-3-5-7(12)11-13/h3-6H2,1-2H3,(H,14,15)
InChIKeyUYCICCFTLXMQDC-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.20
Rot. Bonds2

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

2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid (PubChem CID 82235965) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
PubChem CID82235965
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nc2n(c1=O)CCCC2
InChIInChI=1S/C10H15N3O3/c1-10(2,8(14)15)13-9(16)12-6-4-3-5-7(12)11-13/h3-6H2,1-2H3,(H,14,15)
InChIKeyUYCICCFTLXMQDC-UHFFFAOYSA-N
XLogP0.20
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid (CID 82235965) is 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid is CC(C)(C(=O)O)n1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid?
The InChIKey is UYCICCFTLXMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,8(14)15)13-9(16)12-6-4-3-5-7(12)11-13/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid?
2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 82235965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).