5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid

C9H15N3O3 — CID 62060604

IUPAC5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1CC(C)(C)O
InChIInChI=1S/C9H15N3O3/c1-4-6-7(8(13)14)10-11-12(6)5-9(2,3)15/h15H,4-5H2,1-3H3,(H,13,14)
InChIKeyWGYALCNPBVCMES-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.31
Rot. Bonds4

About 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid

5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid (PubChem CID 62060604) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid
PubChem CID62060604
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1CC(C)(C)O
InChIInChI=1S/C9H15N3O3/c1-4-6-7(8(13)14)10-11-12(6)5-9(2,3)15/h15H,4-5H2,1-3H3,(H,13,14)
InChIKeyWGYALCNPBVCMES-UHFFFAOYSA-N
XLogP0.31
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic 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 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid (CID 62060604) is 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1CC(C)(C)O.
What is the InChIKey of 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid?
The InChIKey is WGYALCNPBVCMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4-6-7(8(13)14)10-11-12(6)5-9(2,3)15/h15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid?
5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid is sourced from PubChem (CID 62060604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).