(6-aminoindazol-1-yl) 2,2-dimethylpropanoate

C12H15N3O2 — CID 174811817

IUPAC(6-aminoindazol-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1ncc2ccc(N)cc21
InChIInChI=1S/C12H15N3O2/c1-12(2,3)11(16)17-15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,13H2,1-3H3
InChIKeyOECCPWJTQMLMRL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.62
Rot. Bonds1

About (6-aminoindazol-1-yl) 2,2-dimethylpropanoate

(6-aminoindazol-1-yl) 2,2-dimethylpropanoate (PubChem CID 174811817) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (6-aminoindazol-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(6-aminoindazol-1-yl) 2,2-dimethylpropanoate
PubChem CID174811817
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(6-aminoindazol-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1ncc2ccc(N)cc21
InChIInChI=1S/C12H15N3O2/c1-12(2,3)11(16)17-15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,13H2,1-3H3
InChIKeyOECCPWJTQMLMRL-UHFFFAOYSA-N
XLogP1.62
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (6-aminoindazol-1-yl) 2,2-dimethylpropanoate 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

6-Nitroindazole
CID 24239
N-(1-Acetyl-1H-indazol-6-yl)acetamide
CID 308115
methyl 2-(6-amino-1H-indazol-1-yl)acetate
CID 10798276
7-NITROINDAZOLE_met009
CID 171115209
Indazol-1-yl formate
CID 57079920
1-(N-acetylamino)indazole
CID 129797901
tert-butyl 6-amino-1H-indazole-1-carboxylate
CID 12018607
(5-Aminoindazol-1-yl) 2,2,2-trifluoroacetate
CID 67450975
(5-Fluoroindazol-1-yl) acetate
CID 88995678
(7-Fluoroindazol-1-yl) acetate
CID 88995841
1-Iodoindazol-5-amine;2,2,2-trifluoroacetic acid
CID 89501677
(7-Fluoroindazol-1-yl) butanoate
CID 123337929

Frequently Asked Questions

What is the IUPAC name of (6-aminoindazol-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (6-aminoindazol-1-yl) 2,2-dimethylpropanoate (CID 174811817) is (6-aminoindazol-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (6-aminoindazol-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (6-aminoindazol-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)On1ncc2ccc(N)cc21.
What is the InChIKey of (6-aminoindazol-1-yl) 2,2-dimethylpropanoate?
The InChIKey is OECCPWJTQMLMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)11(16)17-15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,13H2,1-3H3.
What are the key properties of (6-aminoindazol-1-yl) 2,2-dimethylpropanoate?
(6-aminoindazol-1-yl) 2,2-dimethylpropanoate has a molecular weight of 233.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminoindazol-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174811817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).