2,3-ditert-butylindazole

C15H22N2 — CID 71288886

IUPAC2,3-ditert-butylindazole
SMILESCC(C)(C)c1c2ccccc2nn1C(C)(C)C
InChIInChI=1S/C15H22N2/c1-14(2,3)13-11-9-7-8-10-12(11)16-17(13)15(4,5)6/h7-10H,1-6H3
InChIKeySVSPXGBSZWZQKH-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.09
Rot. Bonds

About 2,3-ditert-butylindazole

2,3-ditert-butylindazole (PubChem CID 71288886) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,3-ditert-butylindazole.

Molecular Properties

Compound Name2,3-ditert-butylindazole
PubChem CID71288886
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,3-ditert-butylindazole
SMILESCC(C)(C)c1c2ccccc2nn1C(C)(C)C
InChIInChI=1S/C15H22N2/c1-14(2,3)13-11-9-7-8-10-12(11)16-17(13)15(4,5)6/h7-10H,1-6H3
InChIKeySVSPXGBSZWZQKH-UHFFFAOYSA-N
XLogP4.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butylindazole?
The IUPAC name of 2,3-ditert-butylindazole (CID 71288886) is 2,3-ditert-butylindazole.
What is the SMILES notation for 2,3-ditert-butylindazole?
The canonical SMILES for 2,3-ditert-butylindazole is CC(C)(C)c1c2ccccc2nn1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butylindazole?
The InChIKey is SVSPXGBSZWZQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)13-11-9-7-8-10-12(11)16-17(13)15(4,5)6/h7-10H,1-6H3.
What are the key properties of 2,3-ditert-butylindazole?
2,3-ditert-butylindazole has a molecular weight of 230.35 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butylindazole is sourced from PubChem (CID 71288886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).