2-cyclobutylindazol-6-amine

C11H13N3 — CID 90309050

IUPAC2-cyclobutylindazol-6-amine
SMILESNc1ccc2cn(C3CCC3)nc2c1
InChIInChI=1S/C11H13N3/c12-9-5-4-8-7-14(10-2-1-3-10)13-11(8)6-9/h4-7,10H,1-3,12H2
InChIKeyLMJJFEHJTPICMU-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.34
Rot. Bonds1

About 2-cyclobutylindazol-6-amine

2-cyclobutylindazol-6-amine (PubChem CID 90309050) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-cyclobutylindazol-6-amine.

Molecular Properties

Compound Name2-cyclobutylindazol-6-amine
PubChem CID90309050
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-cyclobutylindazol-6-amine
SMILESNc1ccc2cn(C3CCC3)nc2c1
InChIInChI=1S/C11H13N3/c12-9-5-4-8-7-14(10-2-1-3-10)13-11(8)6-9/h4-7,10H,1-3,12H2
InChIKeyLMJJFEHJTPICMU-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclobutylindazol-6-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 2-cyclobutylindazol-6-amine?
The IUPAC name of 2-cyclobutylindazol-6-amine (CID 90309050) is 2-cyclobutylindazol-6-amine.
What is the SMILES notation for 2-cyclobutylindazol-6-amine?
The canonical SMILES for 2-cyclobutylindazol-6-amine is Nc1ccc2cn(C3CCC3)nc2c1.
What is the InChIKey of 2-cyclobutylindazol-6-amine?
The InChIKey is LMJJFEHJTPICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-9-5-4-8-7-14(10-2-1-3-10)13-11(8)6-9/h4-7,10H,1-3,12H2.
What are the key properties of 2-cyclobutylindazol-6-amine?
2-cyclobutylindazol-6-amine has a molecular weight of 187.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylindazol-6-amine is sourced from PubChem (CID 90309050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).