3-methoxy-1-methylindazole

C9H10N2O — CID 14956460

IUPAC3-methoxy-1-methylindazole
SMILESCOc1nn(C)c2ccccc12
InChIInChI=1S/C9H10N2O/c1-11-8-6-4-3-5-7(8)9(10-11)12-2/h3-6H,1-2H3
InChIKeyFOKCTKYBBDPIHC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.58
Rot. Bonds1

About 3-methoxy-1-methylindazole

3-methoxy-1-methylindazole (PubChem CID 14956460) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methoxy-1-methylindazole.

Molecular Properties

Compound Name3-methoxy-1-methylindazole
PubChem CID14956460
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methoxy-1-methylindazole
SMILESCOc1nn(C)c2ccccc12
InChIInChI=1S/C9H10N2O/c1-11-8-6-4-3-5-7(8)9(10-11)12-2/h3-6H,1-2H3
InChIKeyFOKCTKYBBDPIHC-UHFFFAOYSA-N
XLogP1.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-methylindazole 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-methylindazole?
The IUPAC name of 3-methoxy-1-methylindazole (CID 14956460) is 3-methoxy-1-methylindazole.
What is the SMILES notation for 3-methoxy-1-methylindazole?
The canonical SMILES for 3-methoxy-1-methylindazole is COc1nn(C)c2ccccc12.
What is the InChIKey of 3-methoxy-1-methylindazole?
The InChIKey is FOKCTKYBBDPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11-8-6-4-3-5-7(8)9(10-11)12-2/h3-6H,1-2H3.
What are the key properties of 3-methoxy-1-methylindazole?
3-methoxy-1-methylindazole has a molecular weight of 162.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylindazole is sourced from PubChem (CID 14956460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).