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

C6H9N3O2 — CID 2766760

IUPAC2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1cncn1
InChIInChI=1S/C6H9N3O2/c1-6(2,5(10)11)9-4-7-3-8-9/h3-4H,1-2H3,(H,10,11)
InChIKeyXCYWDFDMXREMCT-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.10
Rot. Bonds2

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

2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid (PubChem CID 2766760) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid
PubChem CID2766760
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1cncn1
InChIInChI=1S/C6H9N3O2/c1-6(2,5(10)11)9-4-7-3-8-9/h3-4H,1-2H3,(H,10,11)
InChIKeyXCYWDFDMXREMCT-UHFFFAOYSA-N
XLogP0.10
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazole-1-acetic acid
CID 1810180
2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
CID 16192989
3-methyl-2-(1H-1,2,4-triazol-1-yl)butanoic acid
CID 18071754
2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride
CID 44887050
1-(1H-1,2,4-triazol-1-yl)cyclopropane-1-carboxylic acid
CID 89692933
1-tert-butyl-1H-1,2,4-triazole-3-carboxylic acid
CID 119031458
2-methyl-2-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CID 6484163
2-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
CID 45075154
2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoic acid
CID 86208001
2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoic acid
CID 86208002
2-(1H-1,2,4-Triazol-1-yl)propanoic acid
CID 16785201
2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid
CID 3162906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid (CID 2766760) is 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid is CC(C)(C(=O)O)n1cncn1.
What is the InChIKey of 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is XCYWDFDMXREMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(2,5(10)11)9-4-7-3-8-9/h3-4H,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid?
2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 2766760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).