2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid

C10H17N3O2 — CID 62697788

IUPAC2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid
SMILESCC(C)C(C)(Cc1ncnn1C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-7(2)10(3,9(14)15)5-8-11-6-12-13(8)4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyXDJKNEPZNGMKPS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.10
Rot. Bonds4

About 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid

2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid (PubChem CID 62697788) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid
PubChem CID62697788
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid
SMILESCC(C)C(C)(Cc1ncnn1C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-7(2)10(3,9(14)15)5-8-11-6-12-13(8)4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyXDJKNEPZNGMKPS-UHFFFAOYSA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic 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 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid?
The IUPAC name of 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid (CID 62697788) is 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid is CC(C)C(C)(Cc1ncnn1C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid?
The InChIKey is XDJKNEPZNGMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)10(3,9(14)15)5-8-11-6-12-13(8)4/h6-7H,5H2,1-4H3,(H,14,15).
What are the key properties of 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid?
2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]butanoic acid is sourced from PubChem (CID 62697788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).