1,5-dimethylindazole;ethane

C13H22N2 — CID 90788862

IUPAC1,5-dimethylindazole;ethane
SMILESCC.CC.Cc1ccc2c(cnn2C)c1
InChIInChI=1S/C9H10N2.2C2H6/c1-7-3-4-9-8(5-7)6-10-11(9)2;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyQWZXFYMNZBRXEW-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.93
Rot. Bonds

About 1,5-dimethylindazole;ethane

1,5-dimethylindazole;ethane (PubChem CID 90788862) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,5-dimethylindazole;ethane.

Molecular Properties

Compound Name1,5-dimethylindazole;ethane
PubChem CID90788862
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1,5-dimethylindazole;ethane
SMILESCC.CC.Cc1ccc2c(cnn2C)c1
InChIInChI=1S/C9H10N2.2C2H6/c1-7-3-4-9-8(5-7)6-10-11(9)2;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyQWZXFYMNZBRXEW-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylindazole;ethane?
The IUPAC name of 1,5-dimethylindazole;ethane (CID 90788862) is 1,5-dimethylindazole;ethane.
What is the SMILES notation for 1,5-dimethylindazole;ethane?
The canonical SMILES for 1,5-dimethylindazole;ethane is CC.CC.Cc1ccc2c(cnn2C)c1.
What is the InChIKey of 1,5-dimethylindazole;ethane?
The InChIKey is QWZXFYMNZBRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.2C2H6/c1-7-3-4-9-8(5-7)6-10-11(9)2;2*1-2/h3-6H,1-2H3;2*1-2H3.
What are the key properties of 1,5-dimethylindazole;ethane?
1,5-dimethylindazole;ethane has a molecular weight of 206.33 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylindazole;ethane is sourced from PubChem (CID 90788862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).