2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid

C6H9N3O3 — CID 137465205

IUPAC2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid
SMILESCc1ncnn1CC(O)C(=O)O
InChIInChI=1S/C6H9N3O3/c1-4-7-3-8-9(4)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12)
InChIKeyMIOMOAIFIYSSRJ-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.97
Rot. Bonds3

About 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid

2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid (PubChem CID 137465205) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid
PubChem CID137465205
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid
SMILESCc1ncnn1CC(O)C(=O)O
InChIInChI=1S/C6H9N3O3/c1-4-7-3-8-9(4)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12)
InChIKeyMIOMOAIFIYSSRJ-UHFFFAOYSA-N
XLogP-0.97
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid (CID 137465205) is 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid is Cc1ncnn1CC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is MIOMOAIFIYSSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-4-7-3-8-9(4)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid?
2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 171.16 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 137465205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).