2-(6-amino-2H-indazol-3-yl)acetate

C9H8N3O2- — CID 131676345

IUPAC2-(6-amino-2H-indazol-3-yl)acetate
SMILESNc1ccc2c(CC(=O)[O-])[nH]nc2c1
InChIInChI=1S/C9H9N3O2/c10-5-1-2-6-7(3-5)11-12-8(6)4-9(13)14/h1-3H,4,10H2,(H,11,12)(H,13,14)/p-1
InChIKeyBWOZAPHKNSKCHG-UHFFFAOYSA-M
MW190.18 g/mol
LogP-0.56
Rot. Bonds2

About 2-(6-amino-2H-indazol-3-yl)acetate

2-(6-amino-2H-indazol-3-yl)acetate (PubChem CID 131676345) has the molecular formula C9H8N3O2- and a molecular weight of 190.18 g/mol. Its IUPAC name is 2-(6-amino-2H-indazol-3-yl)acetate.

Molecular Properties

Compound Name2-(6-amino-2H-indazol-3-yl)acetate
PubChem CID131676345
Molecular FormulaC9H8N3O2-
Molecular Weight190.18 g/mol
Exact Mass190.06
IUPAC Name2-(6-amino-2H-indazol-3-yl)acetate
SMILESNc1ccc2c(CC(=O)[O-])[nH]nc2c1
InChIInChI=1S/C9H9N3O2/c10-5-1-2-6-7(3-5)11-12-8(6)4-9(13)14/h1-3H,4,10H2,(H,11,12)(H,13,14)/p-1
InChIKeyBWOZAPHKNSKCHG-UHFFFAOYSA-M
XLogP-0.56
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 5-0.56
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 2-(6-amino-2H-indazol-3-yl)acetate?
The IUPAC name of 2-(6-amino-2H-indazol-3-yl)acetate (CID 131676345) is 2-(6-amino-2H-indazol-3-yl)acetate.
What is the SMILES notation for 2-(6-amino-2H-indazol-3-yl)acetate?
The canonical SMILES for 2-(6-amino-2H-indazol-3-yl)acetate is Nc1ccc2c(CC(=O)[O-])[nH]nc2c1.
What is the InChIKey of 2-(6-amino-2H-indazol-3-yl)acetate?
The InChIKey is BWOZAPHKNSKCHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9N3O2/c10-5-1-2-6-7(3-5)11-12-8(6)4-9(13)14/h1-3H,4,10H2,(H,11,12)(H,13,14)/p-1.
What are the key properties of 2-(6-amino-2H-indazol-3-yl)acetate?
2-(6-amino-2H-indazol-3-yl)acetate has a molecular weight of 190.18 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2H-indazol-3-yl)acetate is sourced from PubChem (CID 131676345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).