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

C10H11N3O2 — CID 10798276

IUPACmethyl 2-(6-aminoindazol-1-yl)acetate
SMILESCOC(=O)Cn1ncc2ccc(N)cc21
InChIInChI=1S/C10H11N3O2/c1-15-10(14)6-13-9-4-8(11)3-2-7(9)5-12-13/h2-5H,6,11H2,1H3
InChIKeyDZMLYRORHHIGNH-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.79
Rot. Bonds2

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

methyl 2-(6-aminoindazol-1-yl)acetate (PubChem CID 10798276) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 2-(6-aminoindazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-aminoindazol-1-yl)acetate
PubChem CID10798276
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-(6-aminoindazol-1-yl)acetate
SMILESCOC(=O)Cn1ncc2ccc(N)cc21
InChIInChI=1S/C10H11N3O2/c1-15-10(14)6-13-9-4-8(11)3-2-7(9)5-12-13/h2-5H,6,11H2,1H3
InChIKeyDZMLYRORHHIGNH-UHFFFAOYSA-N
XLogP0.79
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.79
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 methyl 2-(6-aminoindazol-1-yl)acetate?
The IUPAC name of methyl 2-(6-aminoindazol-1-yl)acetate (CID 10798276) is methyl 2-(6-aminoindazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-aminoindazol-1-yl)acetate?
The canonical SMILES for methyl 2-(6-aminoindazol-1-yl)acetate is COC(=O)Cn1ncc2ccc(N)cc21.
What is the InChIKey of methyl 2-(6-aminoindazol-1-yl)acetate?
The InChIKey is DZMLYRORHHIGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-10(14)6-13-9-4-8(11)3-2-7(9)5-12-13/h2-5H,6,11H2,1H3.
What are the key properties of methyl 2-(6-aminoindazol-1-yl)acetate?
methyl 2-(6-aminoindazol-1-yl)acetate has a molecular weight of 205.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-aminoindazol-1-yl)acetate is sourced from PubChem (CID 10798276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).