2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid

C9H15N3O2 — CID 84667655

IUPAC2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid
SMILESCC(C)(C)Cn1ncnc1CC(=O)O
InChIInChI=1S/C9H15N3O2/c1-9(2,3)5-12-7(4-8(13)14)10-6-11-12/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyOOGUPFLGVOJAKU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.95
Rot. Bonds3

About 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid

2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid (PubChem CID 84667655) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid
PubChem CID84667655
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid
SMILESCC(C)(C)Cn1ncnc1CC(=O)O
InChIInChI=1S/C9H15N3O2/c1-9(2,3)5-12-7(4-8(13)14)10-6-11-12/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyOOGUPFLGVOJAKU-UHFFFAOYSA-N
XLogP0.95
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-methylsulfonylbutan-2-one
CID 115779050
3-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylbutan-2-one
CID 116710114
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467
2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid
CID 79268331
3-amino-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 116590520
3-methyl-3-(methylamino)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116566382
1,1-difluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-one
CID 112574058
(E)-1-(2-ethyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103454303
1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylhexan-2-one
CID 115779150
3-(dimethylamino)-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 79052168
2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxylic acid
CID 84662994
3-amino-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-one
CID 116557013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid (CID 84667655) is 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid is CC(C)(C)Cn1ncnc1CC(=O)O.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid?
The InChIKey is OOGUPFLGVOJAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)5-12-7(4-8(13)14)10-6-11-12/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid?
2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid has a molecular weight of 197.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid is sourced from PubChem (CID 84667655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).