2,4-dimethylindazole;ethane

C13H22N2 — CID 90974355

IUPAC2,4-dimethylindazole;ethane
SMILESCC.CC.Cc1cccc2nn(C)cc12
InChIInChI=1S/C9H10N2.2C2H6/c1-7-4-3-5-9-8(7)6-11(2)10-9;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeySZWUTRICZLNZLA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.93
Rot. Bonds

About 2,4-dimethylindazole;ethane

2,4-dimethylindazole;ethane (PubChem CID 90974355) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,4-dimethylindazole;ethane.

Molecular Properties

Compound Name2,4-dimethylindazole;ethane
PubChem CID90974355
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,4-dimethylindazole;ethane
SMILESCC.CC.Cc1cccc2nn(C)cc12
InChIInChI=1S/C9H10N2.2C2H6/c1-7-4-3-5-9-8(7)6-11(2)10-9;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeySZWUTRICZLNZLA-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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Related Compounds

2-methylindazol-4-amine
CID 15413170
N,N,2-trimethylindazol-4-amine
CID 71426032
(2-methylindazol-4-yl)methanamine;dihydrochloride
CID 155749660
2-methyl-6-(2-methylindazole-4-carboximidoyl)aniline
CID 166054970
2-(cyclopropylmethyl)-4-methylindazole
CID 165121236
4-buta-1,3-dien-2-yl-2-methylindazole
CID 123545046
(2,5-dimethylindazol-4-yl)-trifluoroboranuide
CID 74787622
(2,5-dimethylindazol-4-yl)carbamic acid
CID 174236036
[2-(2-methylindazol-4-yl)cyclopropyl]methanamine
CID 59334507
[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride
CID 66720584
1,5-dimethylnaphthalene
CID 162159355
(2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium
CID 177284115

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylindazole;ethane?
The IUPAC name of 2,4-dimethylindazole;ethane (CID 90974355) is 2,4-dimethylindazole;ethane.
What is the SMILES notation for 2,4-dimethylindazole;ethane?
The canonical SMILES for 2,4-dimethylindazole;ethane is CC.CC.Cc1cccc2nn(C)cc12.
What is the InChIKey of 2,4-dimethylindazole;ethane?
The InChIKey is SZWUTRICZLNZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.2C2H6/c1-7-4-3-5-9-8(7)6-11(2)10-9;2*1-2/h3-6H,1-2H3;2*1-2H3.
What are the key properties of 2,4-dimethylindazole;ethane?
2,4-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 2,4-dimethylindazole;ethane is sourced from PubChem (CID 90974355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).