1-(1,3,6-trimethylindazol-5-yl)ethanone

C12H14N2O — CID 15851841

IUPAC1-(1,3,6-trimethylindazol-5-yl)ethanone
SMILESCC(=O)c1cc2c(C)nn(C)c2cc1C
InChIInChI=1S/C12H14N2O/c1-7-5-12-11(6-10(7)9(3)15)8(2)13-14(12)4/h5-6H,1-4H3
InChIKeyIKBOCBVNELHHEI-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.39
Rot. Bonds1

About 1-(1,3,6-trimethylindazol-5-yl)ethanone

1-(1,3,6-trimethylindazol-5-yl)ethanone (PubChem CID 15851841) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(1,3,6-trimethylindazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,3,6-trimethylindazol-5-yl)ethanone
PubChem CID15851841
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(1,3,6-trimethylindazol-5-yl)ethanone
SMILESCC(=O)c1cc2c(C)nn(C)c2cc1C
InChIInChI=1S/C12H14N2O/c1-7-5-12-11(6-10(7)9(3)15)8(2)13-14(12)4/h5-6H,1-4H3
InChIKeyIKBOCBVNELHHEI-UHFFFAOYSA-N
XLogP2.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,6-trimethylindazol-5-yl)ethanone?
The IUPAC name of 1-(1,3,6-trimethylindazol-5-yl)ethanone (CID 15851841) is 1-(1,3,6-trimethylindazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,3,6-trimethylindazol-5-yl)ethanone?
The canonical SMILES for 1-(1,3,6-trimethylindazol-5-yl)ethanone is CC(=O)c1cc2c(C)nn(C)c2cc1C.
What is the InChIKey of 1-(1,3,6-trimethylindazol-5-yl)ethanone?
The InChIKey is IKBOCBVNELHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-5-12-11(6-10(7)9(3)15)8(2)13-14(12)4/h5-6H,1-4H3.
What are the key properties of 1-(1,3,6-trimethylindazol-5-yl)ethanone?
1-(1,3,6-trimethylindazol-5-yl)ethanone has a molecular weight of 202.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,6-trimethylindazol-5-yl)ethanone is sourced from PubChem (CID 15851841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).