6-(2-methylbutan-2-yl)-1H-indazole

C12H16N2 — CID 89048123

IUPAC6-(2-methylbutan-2-yl)-1H-indazole
SMILESCCC(C)(C)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H16N2/c1-4-12(2,3)10-6-5-9-8-13-14-11(9)7-10/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyRTUZCPXNXOMNNO-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.25
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-1H-indazole

6-(2-methylbutan-2-yl)-1H-indazole (PubChem CID 89048123) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-1H-indazole.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-1H-indazole
PubChem CID89048123
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-(2-methylbutan-2-yl)-1H-indazole
SMILESCCC(C)(C)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H16N2/c1-4-12(2,3)10-6-5-9-8-13-14-11(9)7-10/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyRTUZCPXNXOMNNO-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-1H-indazole?
The IUPAC name of 6-(2-methylbutan-2-yl)-1H-indazole (CID 89048123) is 6-(2-methylbutan-2-yl)-1H-indazole.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-1H-indazole?
The canonical SMILES for 6-(2-methylbutan-2-yl)-1H-indazole is CCC(C)(C)c1ccc2cn[nH]c2c1.
What is the InChIKey of 6-(2-methylbutan-2-yl)-1H-indazole?
The InChIKey is RTUZCPXNXOMNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-12(2,3)10-6-5-9-8-13-14-11(9)7-10/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 6-(2-methylbutan-2-yl)-1H-indazole?
6-(2-methylbutan-2-yl)-1H-indazole has a molecular weight of 188.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-1H-indazole is sourced from PubChem (CID 89048123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).