6-methoxy-1H-indazol-4-amine

C8H9N3O — CID 24729622

IUPAC6-methoxy-1H-indazol-4-amine
SMILESCOc1cc(N)c2cn[nH]c2c1
InChIInChI=1S/C8H9N3O/c1-12-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,9H2,1H3,(H,10,11)
InChIKeyGFDOZLUNMUNFEY-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.15
Rot. Bonds1

About 6-methoxy-1H-indazol-4-amine

6-methoxy-1H-indazol-4-amine (PubChem CID 24729622) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-methoxy-1H-indazol-4-amine.

Molecular Properties

Compound Name6-methoxy-1H-indazol-4-amine
PubChem CID24729622
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name6-methoxy-1H-indazol-4-amine
SMILESCOc1cc(N)c2cn[nH]c2c1
InChIInChI=1S/C8H9N3O/c1-12-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,9H2,1H3,(H,10,11)
InChIKeyGFDOZLUNMUNFEY-UHFFFAOYSA-N
XLogP1.15
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-indazol-4-amine?
The IUPAC name of 6-methoxy-1H-indazol-4-amine (CID 24729622) is 6-methoxy-1H-indazol-4-amine.
What is the SMILES notation for 6-methoxy-1H-indazol-4-amine?
The canonical SMILES for 6-methoxy-1H-indazol-4-amine is COc1cc(N)c2cn[nH]c2c1.
What is the InChIKey of 6-methoxy-1H-indazol-4-amine?
The InChIKey is GFDOZLUNMUNFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 6-methoxy-1H-indazol-4-amine?
6-methoxy-1H-indazol-4-amine has a molecular weight of 163.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-indazol-4-amine is sourced from PubChem (CID 24729622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).