3-cyclobutyl-1-methylindazol-5-amine

C12H15N3 — CID 105453740

IUPAC3-cyclobutyl-1-methylindazol-5-amine
SMILESCn1nc(C2CCC2)c2cc(N)ccc21
InChIInChI=1S/C12H15N3/c1-15-11-6-5-9(13)7-10(11)12(14-15)8-3-2-4-8/h5-8H,2-4,13H2,1H3
InChIKeyAJZOXLFDWGHLGQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.42
Rot. Bonds1

About 3-cyclobutyl-1-methylindazol-5-amine

3-cyclobutyl-1-methylindazol-5-amine (PubChem CID 105453740) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-cyclobutyl-1-methylindazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-methylindazol-5-amine
PubChem CID105453740
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-cyclobutyl-1-methylindazol-5-amine
SMILESCn1nc(C2CCC2)c2cc(N)ccc21
InChIInChI=1S/C12H15N3/c1-15-11-6-5-9(13)7-10(11)12(14-15)8-3-2-4-8/h5-8H,2-4,13H2,1H3
InChIKeyAJZOXLFDWGHLGQ-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
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-cyclobutyl-1-methylindazol-5-amine?
The IUPAC name of 3-cyclobutyl-1-methylindazol-5-amine (CID 105453740) is 3-cyclobutyl-1-methylindazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-1-methylindazol-5-amine?
The canonical SMILES for 3-cyclobutyl-1-methylindazol-5-amine is Cn1nc(C2CCC2)c2cc(N)ccc21.
What is the InChIKey of 3-cyclobutyl-1-methylindazol-5-amine?
The InChIKey is AJZOXLFDWGHLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15-11-6-5-9(13)7-10(11)12(14-15)8-3-2-4-8/h5-8H,2-4,13H2,1H3.
What are the key properties of 3-cyclobutyl-1-methylindazol-5-amine?
3-cyclobutyl-1-methylindazol-5-amine has a molecular weight of 201.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methylindazol-5-amine is sourced from PubChem (CID 105453740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).