ethyl 2-(6-aminoindazol-1-yl)acetate

C11H13N3O2 — CID 11063932

IUPACethyl 2-(6-aminoindazol-1-yl)acetate
SMILESCCOC(=O)Cn1ncc2ccc(N)cc21
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)7-14-10-5-9(12)4-3-8(10)6-13-14/h3-6H,2,7,12H2,1H3
InChIKeyZYBYZSAATYCNMG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.18
Rot. Bonds3

About ethyl 2-(6-aminoindazol-1-yl)acetate

ethyl 2-(6-aminoindazol-1-yl)acetate (PubChem CID 11063932) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-(6-aminoindazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-aminoindazol-1-yl)acetate
PubChem CID11063932
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-(6-aminoindazol-1-yl)acetate
SMILESCCOC(=O)Cn1ncc2ccc(N)cc21
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)7-14-10-5-9(12)4-3-8(10)6-13-14/h3-6H,2,7,12H2,1H3
InChIKeyZYBYZSAATYCNMG-UHFFFAOYSA-N
XLogP1.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-aminoindazol-1-yl)acetate?
The IUPAC name of ethyl 2-(6-aminoindazol-1-yl)acetate (CID 11063932) is ethyl 2-(6-aminoindazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-aminoindazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-aminoindazol-1-yl)acetate is CCOC(=O)Cn1ncc2ccc(N)cc21.
What is the InChIKey of ethyl 2-(6-aminoindazol-1-yl)acetate?
The InChIKey is ZYBYZSAATYCNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-11(15)7-14-10-5-9(12)4-3-8(10)6-13-14/h3-6H,2,7,12H2,1H3.
What are the key properties of ethyl 2-(6-aminoindazol-1-yl)acetate?
ethyl 2-(6-aminoindazol-1-yl)acetate has a molecular weight of 219.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-aminoindazol-1-yl)acetate is sourced from PubChem (CID 11063932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).