1,6-dimethylindazole-5-carbonitrile;ethane

C14H21N3 — CID 178139886

IUPAC1,6-dimethylindazole-5-carbonitrile;ethane
SMILESCC.CC.Cc1cc2c(cnn2C)cc1C#N
InChIInChI=1S/C10H9N3.2C2H6/c1-7-3-10-9(4-8(7)5-11)6-12-13(10)2;2*1-2/h3-4,6H,1-2H3;2*1-2H3
InChIKeyRWZXXFCBZPYQGG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.81
Rot. Bonds

About 1,6-dimethylindazole-5-carbonitrile;ethane

1,6-dimethylindazole-5-carbonitrile;ethane (PubChem CID 178139886) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,6-dimethylindazole-5-carbonitrile;ethane.

Molecular Properties

Compound Name1,6-dimethylindazole-5-carbonitrile;ethane
PubChem CID178139886
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1,6-dimethylindazole-5-carbonitrile;ethane
SMILESCC.CC.Cc1cc2c(cnn2C)cc1C#N
InChIInChI=1S/C10H9N3.2C2H6/c1-7-3-10-9(4-8(7)5-11)6-12-13(10)2;2*1-2/h3-4,6H,1-2H3;2*1-2H3
InChIKeyRWZXXFCBZPYQGG-UHFFFAOYSA-N
XLogP3.81
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1,6-dimethylindazole
CID 84657674
1,6-dimethyl-5-propan-2-ylindazole
CID 58371579
1-methylindazole-5-carbonitrile
CID 10583041
1,5-dimethylindazol-6-ol
CID 137082746
6-ethyl-1,5-dimethylindazole
CID 176934565
1,5-dimethylindazole;ethane
CID 90788862
5,6-difluoro-1-methylindazole
CID 159529872
1,5-dimethyl-6-(trifluoromethyl)indazole
CID 147922092
2-(1-methylindazol-5-yl)prop-2-enenitrile
CID 142664666
6-bromo-1-methylindazole-4-carbonitrile
CID 66692316
2-(1-methylindazol-6-yl)acetonitrile
CID 84765976
6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
CID 169103085

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylindazole-5-carbonitrile;ethane?
The IUPAC name of 1,6-dimethylindazole-5-carbonitrile;ethane (CID 178139886) is 1,6-dimethylindazole-5-carbonitrile;ethane.
What is the SMILES notation for 1,6-dimethylindazole-5-carbonitrile;ethane?
The canonical SMILES for 1,6-dimethylindazole-5-carbonitrile;ethane is CC.CC.Cc1cc2c(cnn2C)cc1C#N.
What is the InChIKey of 1,6-dimethylindazole-5-carbonitrile;ethane?
The InChIKey is RWZXXFCBZPYQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3.2C2H6/c1-7-3-10-9(4-8(7)5-11)6-12-13(10)2;2*1-2/h3-4,6H,1-2H3;2*1-2H3.
What are the key properties of 1,6-dimethylindazole-5-carbonitrile;ethane?
1,6-dimethylindazole-5-carbonitrile;ethane has a molecular weight of 231.34 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylindazole-5-carbonitrile;ethane is sourced from PubChem (CID 178139886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).