3-methoxy-1H-indazol-5-amine

C8H9N3O — CID 74891104

IUPAC3-methoxy-1H-indazol-5-amine
SMILESCOc1n[nH]c2ccc(N)cc12
InChIInChI=1S/C8H9N3O/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,9H2,1H3,(H,10,11)
InChIKeyVKRAQIYBQWNRSL-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.15
Rot. Bonds1

About 3-methoxy-1H-indazol-5-amine

3-methoxy-1H-indazol-5-amine (PubChem CID 74891104) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-methoxy-1H-indazol-5-amine.

Molecular Properties

Compound Name3-methoxy-1H-indazol-5-amine
PubChem CID74891104
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-methoxy-1H-indazol-5-amine
SMILESCOc1n[nH]c2ccc(N)cc12
InChIInChI=1S/C8H9N3O/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,9H2,1H3,(H,10,11)
InChIKeyVKRAQIYBQWNRSL-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 3-methoxy-1H-indazol-5-amine?
The IUPAC name of 3-methoxy-1H-indazol-5-amine (CID 74891104) is 3-methoxy-1H-indazol-5-amine.
What is the SMILES notation for 3-methoxy-1H-indazol-5-amine?
The canonical SMILES for 3-methoxy-1H-indazol-5-amine is COc1n[nH]c2ccc(N)cc12.
What is the InChIKey of 3-methoxy-1H-indazol-5-amine?
The InChIKey is VKRAQIYBQWNRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 3-methoxy-1H-indazol-5-amine?
3-methoxy-1H-indazol-5-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 3-methoxy-1H-indazol-5-amine is sourced from PubChem (CID 74891104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).