1-propan-2-yloxyindazole

C10H12N2O — CID 141134934

IUPAC1-propan-2-yloxyindazole
SMILESCC(C)On1ncc2ccccc21
InChIInChI=1S/C10H12N2O/c1-8(2)13-12-10-6-4-3-5-9(10)7-11-12/h3-8H,1-2H3
InChIKeyXBHQOTBQNDAVCE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.87
Rot. Bonds2

About 1-propan-2-yloxyindazole

1-propan-2-yloxyindazole (PubChem CID 141134934) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-propan-2-yloxyindazole.

Molecular Properties

Compound Name1-propan-2-yloxyindazole
PubChem CID141134934
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-propan-2-yloxyindazole
SMILESCC(C)On1ncc2ccccc21
InChIInChI=1S/C10H12N2O/c1-8(2)13-12-10-6-4-3-5-9(10)7-11-12/h3-8H,1-2H3
InChIKeyXBHQOTBQNDAVCE-UHFFFAOYSA-N
XLogP1.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yloxyindazole 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 1-propan-2-yloxyindazole?
The IUPAC name of 1-propan-2-yloxyindazole (CID 141134934) is 1-propan-2-yloxyindazole.
What is the SMILES notation for 1-propan-2-yloxyindazole?
The canonical SMILES for 1-propan-2-yloxyindazole is CC(C)On1ncc2ccccc21.
What is the InChIKey of 1-propan-2-yloxyindazole?
The InChIKey is XBHQOTBQNDAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(2)13-12-10-6-4-3-5-9(10)7-11-12/h3-8H,1-2H3.
What are the key properties of 1-propan-2-yloxyindazole?
1-propan-2-yloxyindazole has a molecular weight of 176.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyindazole is sourced from PubChem (CID 141134934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).