7-ethenyl-1,5,6-trimethylindazole

C12H14N2 — CID 167037820

IUPAC7-ethenyl-1,5,6-trimethylindazole
SMILESC=Cc1c(C)c(C)cc2cnn(C)c12
InChIInChI=1S/C12H14N2/c1-5-11-9(3)8(2)6-10-7-13-14(4)12(10)11/h5-7H,1H2,2-4H3
InChIKeyZKSHANPAURZXDO-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.83
Rot. Bonds1

About 7-ethenyl-1,5,6-trimethylindazole

7-ethenyl-1,5,6-trimethylindazole (PubChem CID 167037820) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 7-ethenyl-1,5,6-trimethylindazole.

Molecular Properties

Compound Name7-ethenyl-1,5,6-trimethylindazole
PubChem CID167037820
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name7-ethenyl-1,5,6-trimethylindazole
SMILESC=Cc1c(C)c(C)cc2cnn(C)c12
InChIInChI=1S/C12H14N2/c1-5-11-9(3)8(2)6-10-7-13-14(4)12(10)11/h5-7H,1H2,2-4H3
InChIKeyZKSHANPAURZXDO-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-1,5,6-trimethylindazole?
The IUPAC name of 7-ethenyl-1,5,6-trimethylindazole (CID 167037820) is 7-ethenyl-1,5,6-trimethylindazole.
What is the SMILES notation for 7-ethenyl-1,5,6-trimethylindazole?
The canonical SMILES for 7-ethenyl-1,5,6-trimethylindazole is C=Cc1c(C)c(C)cc2cnn(C)c12.
What is the InChIKey of 7-ethenyl-1,5,6-trimethylindazole?
The InChIKey is ZKSHANPAURZXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-5-11-9(3)8(2)6-10-7-13-14(4)12(10)11/h5-7H,1H2,2-4H3.
What are the key properties of 7-ethenyl-1,5,6-trimethylindazole?
7-ethenyl-1,5,6-trimethylindazole has a molecular weight of 186.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1,5,6-trimethylindazole is sourced from PubChem (CID 167037820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).