6-amino-1-methoxyindazol-5-ol

C8H9N3O2 — CID 69254892

IUPAC6-amino-1-methoxyindazol-5-ol
SMILESCOn1ncc2cc(O)c(N)cc21
InChIInChI=1S/C8H9N3O2/c1-13-11-7-3-6(9)8(12)2-5(7)4-10-11/h2-4,12H,9H2,1H3
InChIKeyCKNBUHCYKCDEOA-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.38
Rot. Bonds1

About 6-amino-1-methoxyindazol-5-ol

6-amino-1-methoxyindazol-5-ol (PubChem CID 69254892) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-amino-1-methoxyindazol-5-ol.

Molecular Properties

Compound Name6-amino-1-methoxyindazol-5-ol
PubChem CID69254892
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name6-amino-1-methoxyindazol-5-ol
SMILESCOn1ncc2cc(O)c(N)cc21
InChIInChI=1S/C8H9N3O2/c1-13-11-7-3-6(9)8(12)2-5(7)4-10-11/h2-4,12H,9H2,1H3
InChIKeyCKNBUHCYKCDEOA-UHFFFAOYSA-N
XLogP0.38
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methoxyindazol-5-ol?
The IUPAC name of 6-amino-1-methoxyindazol-5-ol (CID 69254892) is 6-amino-1-methoxyindazol-5-ol.
What is the SMILES notation for 6-amino-1-methoxyindazol-5-ol?
The canonical SMILES for 6-amino-1-methoxyindazol-5-ol is COn1ncc2cc(O)c(N)cc21.
What is the InChIKey of 6-amino-1-methoxyindazol-5-ol?
The InChIKey is CKNBUHCYKCDEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-13-11-7-3-6(9)8(12)2-5(7)4-10-11/h2-4,12H,9H2,1H3.
What are the key properties of 6-amino-1-methoxyindazol-5-ol?
6-amino-1-methoxyindazol-5-ol has a molecular weight of 179.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methoxyindazol-5-ol is sourced from PubChem (CID 69254892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).