1,3,4,6-tetramethylindazole

C11H14N2 — CID 123441801

IUPAC1,3,4,6-tetramethylindazole
SMILESCc1cc(C)c2c(C)nn(C)c2c1
InChIInChI=1S/C11H14N2/c1-7-5-8(2)11-9(3)12-13(4)10(11)6-7/h5-6H,1-4H3
InChIKeyXLQKRXYGANKPEH-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.50
Rot. Bonds

About 1,3,4,6-tetramethylindazole

1,3,4,6-tetramethylindazole (PubChem CID 123441801) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1,3,4,6-tetramethylindazole.

Molecular Properties

Compound Name1,3,4,6-tetramethylindazole
PubChem CID123441801
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1,3,4,6-tetramethylindazole
SMILESCc1cc(C)c2c(C)nn(C)c2c1
InChIInChI=1S/C11H14N2/c1-7-5-8(2)11-9(3)12-13(4)10(11)6-7/h5-6H,1-4H3
InChIKeyXLQKRXYGANKPEH-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethylindazole?
The IUPAC name of 1,3,4,6-tetramethylindazole (CID 123441801) is 1,3,4,6-tetramethylindazole.
What is the SMILES notation for 1,3,4,6-tetramethylindazole?
The canonical SMILES for 1,3,4,6-tetramethylindazole is Cc1cc(C)c2c(C)nn(C)c2c1.
What is the InChIKey of 1,3,4,6-tetramethylindazole?
The InChIKey is XLQKRXYGANKPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7-5-8(2)11-9(3)12-13(4)10(11)6-7/h5-6H,1-4H3.
What are the key properties of 1,3,4,6-tetramethylindazole?
1,3,4,6-tetramethylindazole has a molecular weight of 174.25 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethylindazole is sourced from PubChem (CID 123441801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).