ethane;6-methoxy-3-methyl-2H-indazole

C11H16N2O — CID 142896061

IUPACethane;6-methoxy-3-methyl-2H-indazole
SMILESCC.COc1ccc2c(C)[nH]nc2c1
InChIInChI=1S/C9H10N2O.C2H6/c1-6-8-4-3-7(12-2)5-9(8)11-10-6;1-2/h3-5H,1-2H3,(H,10,11);1-2H3
InChIKeyRFBWUXBYKDFXCN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.91
Rot. Bonds1

About ethane;6-methoxy-3-methyl-2H-indazole

ethane;6-methoxy-3-methyl-2H-indazole (PubChem CID 142896061) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;6-methoxy-3-methyl-2H-indazole.

Molecular Properties

Compound Nameethane;6-methoxy-3-methyl-2H-indazole
PubChem CID142896061
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;6-methoxy-3-methyl-2H-indazole
SMILESCC.COc1ccc2c(C)[nH]nc2c1
InChIInChI=1S/C9H10N2O.C2H6/c1-6-8-4-3-7(12-2)5-9(8)11-10-6;1-2/h3-5H,1-2H3,(H,10,11);1-2H3
InChIKeyRFBWUXBYKDFXCN-UHFFFAOYSA-N
XLogP2.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-3-methyl-2H-indazole?
The IUPAC name of ethane;6-methoxy-3-methyl-2H-indazole (CID 142896061) is ethane;6-methoxy-3-methyl-2H-indazole.
What is the SMILES notation for ethane;6-methoxy-3-methyl-2H-indazole?
The canonical SMILES for ethane;6-methoxy-3-methyl-2H-indazole is CC.COc1ccc2c(C)[nH]nc2c1.
What is the InChIKey of ethane;6-methoxy-3-methyl-2H-indazole?
The InChIKey is RFBWUXBYKDFXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-6-8-4-3-7(12-2)5-9(8)11-10-6;1-2/h3-5H,1-2H3,(H,10,11);1-2H3.
What are the key properties of ethane;6-methoxy-3-methyl-2H-indazole?
ethane;6-methoxy-3-methyl-2H-indazole has a molecular weight of 192.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-3-methyl-2H-indazole is sourced from PubChem (CID 142896061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).