ethane;2,6,7-trimethylindazole

C12H18N2 — CID 156845180

IUPACethane;2,6,7-trimethylindazole
SMILESCC.Cc1ccc2cn(C)nc2c1C
InChIInChI=1S/C10H12N2.C2H6/c1-7-4-5-9-6-12(3)11-10(9)8(7)2;1-2/h4-6H,1-3H3;1-2H3
InChIKeyJMQGJDJARDULRH-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.22
Rot. Bonds

About ethane;2,6,7-trimethylindazole

ethane;2,6,7-trimethylindazole (PubChem CID 156845180) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;2,6,7-trimethylindazole.

Molecular Properties

Compound Nameethane;2,6,7-trimethylindazole
PubChem CID156845180
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Nameethane;2,6,7-trimethylindazole
SMILESCC.Cc1ccc2cn(C)nc2c1C
InChIInChI=1S/C10H12N2.C2H6/c1-7-4-5-9-6-12(3)11-10(9)8(7)2;1-2/h4-6H,1-3H3;1-2H3
InChIKeyJMQGJDJARDULRH-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dimethyl-6-propan-2-ylindazole
CID 168725075
2,7-dimethylindazole-6-carboxylic acid
CID 117110179
ethane;2,5,7-trimethylindazol-6-ol
CID 162433004
ethane;6-methoxy-2-methylindazol-7-ol
CID 155591258
ethane;2,5,7-trimethylindazole
CID 156845071
7-bromo-2-methylindazole;ethane
CID 155591280
6-chloro-7-fluoro-2-methylindazole
CID 171662432
7-bromo-6-fluoro-2-methylindazole
CID 83382772
7-chloro-2-methylindazol-6-amine
CID 86100986
ethane;2-methyl-7-propan-2-ylpyrazolo[3,4-c]pyridine
CID 165134289
2-methylpyrazolo[3,4-c]pyridin-7-amine
CID 130019299
6-fluoro-2-methylindazole-7-carbonitrile
CID 83385402

Frequently Asked Questions

What is the IUPAC name of ethane;2,6,7-trimethylindazole?
The IUPAC name of ethane;2,6,7-trimethylindazole (CID 156845180) is ethane;2,6,7-trimethylindazole.
What is the SMILES notation for ethane;2,6,7-trimethylindazole?
The canonical SMILES for ethane;2,6,7-trimethylindazole is CC.Cc1ccc2cn(C)nc2c1C.
What is the InChIKey of ethane;2,6,7-trimethylindazole?
The InChIKey is JMQGJDJARDULRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-7-4-5-9-6-12(3)11-10(9)8(7)2;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;2,6,7-trimethylindazole?
ethane;2,6,7-trimethylindazole has a molecular weight of 190.29 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,6,7-trimethylindazole is sourced from PubChem (CID 156845180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).