3-amino-5-methylindazole-1-carboxylic acid

C9H9N3O2 — CID 21409246

IUPAC3-amino-5-methylindazole-1-carboxylic acid
SMILESCc1ccc2c(c1)c(N)nn2C(=O)O
InChIInChI=1S/C9H9N3O2/c1-5-2-3-7-6(4-5)8(10)11-12(7)9(13)14/h2-4H,1H3,(H2,10,11)(H,13,14)
InChIKeyGCRNXNPHGMWZLL-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.45
Rot. Bonds

About 3-amino-5-methylindazole-1-carboxylic acid

3-amino-5-methylindazole-1-carboxylic acid (PubChem CID 21409246) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-amino-5-methylindazole-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-methylindazole-1-carboxylic acid
PubChem CID21409246
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-amino-5-methylindazole-1-carboxylic acid
SMILESCc1ccc2c(c1)c(N)nn2C(=O)O
InChIInChI=1S/C9H9N3O2/c1-5-2-3-7-6(4-5)8(10)11-12(7)9(13)14/h2-4H,1H3,(H2,10,11)(H,13,14)
InChIKeyGCRNXNPHGMWZLL-UHFFFAOYSA-N
XLogP1.45
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-methylindazole-1-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 3-amino-5-methylindazole-1-carboxylic acid?
The IUPAC name of 3-amino-5-methylindazole-1-carboxylic acid (CID 21409246) is 3-amino-5-methylindazole-1-carboxylic acid.
What is the SMILES notation for 3-amino-5-methylindazole-1-carboxylic acid?
The canonical SMILES for 3-amino-5-methylindazole-1-carboxylic acid is Cc1ccc2c(c1)c(N)nn2C(=O)O.
What is the InChIKey of 3-amino-5-methylindazole-1-carboxylic acid?
The InChIKey is GCRNXNPHGMWZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-2-3-7-6(4-5)8(10)11-12(7)9(13)14/h2-4H,1H3,(H2,10,11)(H,13,14).
What are the key properties of 3-amino-5-methylindazole-1-carboxylic acid?
3-amino-5-methylindazole-1-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylindazole-1-carboxylic acid is sourced from PubChem (CID 21409246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).