3-cyclobutyl-2H-indazol-6-amine

C11H13N3 — CID 105442672

IUPAC3-cyclobutyl-2H-indazol-6-amine
SMILESNc1ccc2c(C3CCC3)[nH]nc2c1
InChIInChI=1S/C11H13N3/c12-8-4-5-9-10(6-8)13-14-11(9)7-2-1-3-7/h4-7H,1-3,12H2,(H,13,14)
InChIKeyIIHHASMIFMCDLQ-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.41
Rot. Bonds1

About 3-cyclobutyl-2H-indazol-6-amine

3-cyclobutyl-2H-indazol-6-amine (PubChem CID 105442672) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3-cyclobutyl-2H-indazol-6-amine.

Molecular Properties

Compound Name3-cyclobutyl-2H-indazol-6-amine
PubChem CID105442672
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3-cyclobutyl-2H-indazol-6-amine
SMILESNc1ccc2c(C3CCC3)[nH]nc2c1
InChIInChI=1S/C11H13N3/c12-8-4-5-9-10(6-8)13-14-11(9)7-2-1-3-7/h4-7H,1-3,12H2,(H,13,14)
InChIKeyIIHHASMIFMCDLQ-UHFFFAOYSA-N
XLogP2.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2H-indazol-6-amine?
The IUPAC name of 3-cyclobutyl-2H-indazol-6-amine (CID 105442672) is 3-cyclobutyl-2H-indazol-6-amine.
What is the SMILES notation for 3-cyclobutyl-2H-indazol-6-amine?
The canonical SMILES for 3-cyclobutyl-2H-indazol-6-amine is Nc1ccc2c(C3CCC3)[nH]nc2c1.
What is the InChIKey of 3-cyclobutyl-2H-indazol-6-amine?
The InChIKey is IIHHASMIFMCDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-8-4-5-9-10(6-8)13-14-11(9)7-2-1-3-7/h4-7H,1-3,12H2,(H,13,14).
What are the key properties of 3-cyclobutyl-2H-indazol-6-amine?
3-cyclobutyl-2H-indazol-6-amine has a molecular weight of 187.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2H-indazol-6-amine is sourced from PubChem (CID 105442672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).