3-methoxy-1-methylindazol-4-amine

C9H11N3O — CID 133061084

IUPAC3-methoxy-1-methylindazol-4-amine
SMILESCOc1nn(C)c2cccc(N)c12
InChIInChI=1S/C9H11N3O/c1-12-7-5-3-4-6(10)8(7)9(11-12)13-2/h3-5H,10H2,1-2H3
InChIKeyNVBYJXNHSTYDSR-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.16
Rot. Bonds1

About 3-methoxy-1-methylindazol-4-amine

3-methoxy-1-methylindazol-4-amine (PubChem CID 133061084) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-methoxy-1-methylindazol-4-amine.

Molecular Properties

Compound Name3-methoxy-1-methylindazol-4-amine
PubChem CID133061084
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-methoxy-1-methylindazol-4-amine
SMILESCOc1nn(C)c2cccc(N)c12
InChIInChI=1S/C9H11N3O/c1-12-7-5-3-4-6(10)8(7)9(11-12)13-2/h3-5H,10H2,1-2H3
InChIKeyNVBYJXNHSTYDSR-UHFFFAOYSA-N
XLogP1.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-1-methylindazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylindazol-4-amine?
The IUPAC name of 3-methoxy-1-methylindazol-4-amine (CID 133061084) is 3-methoxy-1-methylindazol-4-amine.
What is the SMILES notation for 3-methoxy-1-methylindazol-4-amine?
The canonical SMILES for 3-methoxy-1-methylindazol-4-amine is COc1nn(C)c2cccc(N)c12.
What is the InChIKey of 3-methoxy-1-methylindazol-4-amine?
The InChIKey is NVBYJXNHSTYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12-7-5-3-4-6(10)8(7)9(11-12)13-2/h3-5H,10H2,1-2H3.
What are the key properties of 3-methoxy-1-methylindazol-4-amine?
3-methoxy-1-methylindazol-4-amine has a molecular weight of 177.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylindazol-4-amine is sourced from PubChem (CID 133061084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).