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

C9H9N3O2 — CID 84663060

IUPAC5-amino-1-methylindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2cc(N)ccc21
InChIInChI=1S/C9H9N3O2/c1-12-7-3-2-5(10)4-6(7)8(11-12)9(13)14/h2-4H,10H2,1H3,(H,13,14)
InChIKeyPLESLOSCZHFSOU-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.85
Rot. Bonds1

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

5-amino-1-methylindazole-3-carboxylic acid (PubChem CID 84663060) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-amino-1-methylindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-methylindazole-3-carboxylic acid
PubChem CID84663060
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5-amino-1-methylindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2cc(N)ccc21
InChIInChI=1S/C9H9N3O2/c1-12-7-3-2-5(10)4-6(7)8(11-12)9(13)14/h2-4H,10H2,1H3,(H,13,14)
InChIKeyPLESLOSCZHFSOU-UHFFFAOYSA-N
XLogP0.85
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methylindazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-methylindazole-3-carboxylic acid (CID 84663060) is 5-amino-1-methylindazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-methylindazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-methylindazole-3-carboxylic acid is Cn1nc(C(=O)O)c2cc(N)ccc21.
What is the InChIKey of 5-amino-1-methylindazole-3-carboxylic acid?
The InChIKey is PLESLOSCZHFSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12-7-3-2-5(10)4-6(7)8(11-12)9(13)14/h2-4H,10H2,1H3,(H,13,14).
What are the key properties of 5-amino-1-methylindazole-3-carboxylic acid?
5-amino-1-methylindazole-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methylindazole-3-carboxylic acid is sourced from PubChem (CID 84663060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).