5-methoxy-1H-indazol-4-amine

C8H9N3O — CID 76845989

IUPAC5-methoxy-1H-indazol-4-amine
SMILESCOc1ccc2[nH]ncc2c1N
InChIInChI=1S/C8H9N3O/c1-12-7-3-2-6-5(8(7)9)4-10-11-6/h2-4H,9H2,1H3,(H,10,11)
InChIKeyJZJSVYWUPDPBGR-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.15
Rot. Bonds1

About 5-methoxy-1H-indazol-4-amine

5-methoxy-1H-indazol-4-amine (PubChem CID 76845989) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-methoxy-1H-indazol-4-amine.

Molecular Properties

Compound Name5-methoxy-1H-indazol-4-amine
PubChem CID76845989
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-methoxy-1H-indazol-4-amine
SMILESCOc1ccc2[nH]ncc2c1N
InChIInChI=1S/C8H9N3O/c1-12-7-3-2-6-5(8(7)9)4-10-11-6/h2-4H,9H2,1H3,(H,10,11)
InChIKeyJZJSVYWUPDPBGR-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 5-methoxy-1H-indazol-4-amine?
The IUPAC name of 5-methoxy-1H-indazol-4-amine (CID 76845989) is 5-methoxy-1H-indazol-4-amine.
What is the SMILES notation for 5-methoxy-1H-indazol-4-amine?
The canonical SMILES for 5-methoxy-1H-indazol-4-amine is COc1ccc2[nH]ncc2c1N.
What is the InChIKey of 5-methoxy-1H-indazol-4-amine?
The InChIKey is JZJSVYWUPDPBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-7-3-2-6-5(8(7)9)4-10-11-6/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 5-methoxy-1H-indazol-4-amine?
5-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 5-methoxy-1H-indazol-4-amine is sourced from PubChem (CID 76845989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).