2-tert-butylindazole

C11H14N2 — CID 55250777

IUPAC2-tert-butylindazole
SMILESCC(C)(C)n1cc2ccccc2n1
InChIInChI=1S/C11H14N2/c1-11(2,3)13-8-9-6-4-5-7-10(9)12-13/h4-8H,1-3H3
InChIKeyQXXLFRCAOVPYEL-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.79
Rot. Bonds

About 2-tert-butylindazole

2-tert-butylindazole (PubChem CID 55250777) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-tert-butylindazole.

Molecular Properties

Compound Name2-tert-butylindazole
PubChem CID55250777
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-tert-butylindazole
SMILESCC(C)(C)n1cc2ccccc2n1
InChIInChI=1S/C11H14N2/c1-11(2,3)13-8-9-6-4-5-7-10(9)12-13/h4-8H,1-3H3
InChIKeyQXXLFRCAOVPYEL-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylindazole?
The IUPAC name of 2-tert-butylindazole (CID 55250777) is 2-tert-butylindazole.
What is the SMILES notation for 2-tert-butylindazole?
The canonical SMILES for 2-tert-butylindazole is CC(C)(C)n1cc2ccccc2n1.
What is the InChIKey of 2-tert-butylindazole?
The InChIKey is QXXLFRCAOVPYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)13-8-9-6-4-5-7-10(9)12-13/h4-8H,1-3H3.
What are the key properties of 2-tert-butylindazole?
2-tert-butylindazole has a molecular weight of 174.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylindazole is sourced from PubChem (CID 55250777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).