2-cyclobutylindazol-5-amine

C11H13N3 — CID 90308963

IUPAC2-cyclobutylindazol-5-amine
SMILESNc1ccc2nn(C3CCC3)cc2c1
InChIInChI=1S/C11H13N3/c12-9-4-5-11-8(6-9)7-14(13-11)10-2-1-3-10/h4-7,10H,1-3,12H2
InChIKeyPHMAYJLWUXXORP-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.34
Rot. Bonds1

About 2-cyclobutylindazol-5-amine

2-cyclobutylindazol-5-amine (PubChem CID 90308963) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-cyclobutylindazol-5-amine.

Molecular Properties

Compound Name2-cyclobutylindazol-5-amine
PubChem CID90308963
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-cyclobutylindazol-5-amine
SMILESNc1ccc2nn(C3CCC3)cc2c1
InChIInChI=1S/C11H13N3/c12-9-4-5-11-8(6-9)7-14(13-11)10-2-1-3-10/h4-7,10H,1-3,12H2
InChIKeyPHMAYJLWUXXORP-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylindazol-5-amine?
The IUPAC name of 2-cyclobutylindazol-5-amine (CID 90308963) is 2-cyclobutylindazol-5-amine.
What is the SMILES notation for 2-cyclobutylindazol-5-amine?
The canonical SMILES for 2-cyclobutylindazol-5-amine is Nc1ccc2nn(C3CCC3)cc2c1.
What is the InChIKey of 2-cyclobutylindazol-5-amine?
The InChIKey is PHMAYJLWUXXORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-9-4-5-11-8(6-9)7-14(13-11)10-2-1-3-10/h4-7,10H,1-3,12H2.
What are the key properties of 2-cyclobutylindazol-5-amine?
2-cyclobutylindazol-5-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-5-amine is sourced from PubChem (CID 90308963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).