5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid

C10H15N3O2 — CID 165467352

IUPAC5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid
SMILESCC1(C)C(c2n[nH]nc2C(=O)O)C1(C)C
InChIInChI=1S/C10H15N3O2/c1-9(2)7(10(9,3)4)5-6(8(14)15)12-13-11-5/h7H,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyUBXGXLVPXMNBLJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.65
Rot. Bonds2

About 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid

5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid (PubChem CID 165467352) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid
PubChem CID165467352
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid
SMILESCC1(C)C(c2n[nH]nc2C(=O)O)C1(C)C
InChIInChI=1S/C10H15N3O2/c1-9(2)7(10(9,3)4)5-6(8(14)15)12-13-11-5/h7H,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyUBXGXLVPXMNBLJ-UHFFFAOYSA-N
XLogP1.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,2,3,3-tetramethylcyclopropyl)-2H-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-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid (CID 165467352) is 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid is CC1(C)C(c2n[nH]nc2C(=O)O)C1(C)C.
What is the InChIKey of 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid?
The InChIKey is UBXGXLVPXMNBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-9(2)7(10(9,3)4)5-6(8(14)15)12-13-11-5/h7H,1-4H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid?
5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 165467352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).