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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Related Compounds

1-Naphthalenyl(1-pentyl-1H-indazol-3-yl)methanone
CID 124518671
14-(2-Aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 46907250
N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide
CID 155926646
JNK Inhibitor II, Negative Control
CID 11665831
(1-Methylindazol-5-yl)-(1-propyl-3-piperidyl)methanone
CID 121479159
1-Methyl-1H-indazole-4-carbaldehyde
CID 37818471
1-Methyl-1H-indazole-5-carboxaldehyde
CID 37818594
4-Acetyl-1-methyl-1H-indazole
CID 44119225
1-(1-Methyl-1H-indazol-6-yl)ethanone
CID 44119226
2-Methyl-2H-indazole-4-carbaldehyde
CID 59334618
2,3-Dimethyl-2H-indazole-5-carbaldehyde
CID 72207345
3-(1-Methylindazol-5-yl)-4-(trifluoromethyl)benzamide
CID 172448698

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).