ethane;2,5,7-trimethylindazole

C12H18N2 — CID 156845071

IUPACethane;2,5,7-trimethylindazole
SMILESCC.Cc1cc(C)c2nn(C)cc2c1
InChIInChI=1S/C10H12N2.C2H6/c1-7-4-8(2)10-9(5-7)6-12(3)11-10;1-2/h4-6H,1-3H3;1-2H3
InChIKeyLDPOAOHELXMSBT-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.22
Rot. Bonds

About ethane;2,5,7-trimethylindazole

ethane;2,5,7-trimethylindazole (PubChem CID 156845071) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;2,5,7-trimethylindazole.

Molecular Properties

Compound Nameethane;2,5,7-trimethylindazole
PubChem CID156845071
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Nameethane;2,5,7-trimethylindazole
SMILESCC.Cc1cc(C)c2nn(C)cc2c1
InChIInChI=1S/C10H12N2.C2H6/c1-7-4-8(2)10-9(5-7)6-12(3)11-10;1-2/h4-6H,1-3H3;1-2H3
InChIKeyLDPOAOHELXMSBT-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

ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
ethane;N,2,5-trimethylindazol-7-amine
CID 176566989
ethane;2,5,7-trimethylindazol-6-ol
CID 162433004
5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane
CID 176566536
2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole
CID 153382942
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
ethane;2,6,7-trimethylindazole
CID 156845180
2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
CID 142492191
5-chloro-2,7-dimethylpyrazolo[3,4-c]pyridine
CID 162432890
3,6,8-trimethylquinoline
CID 15109946
2,5-dimethylindazole
CID 58763639
2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde
CID 143510786

Frequently Asked Questions

What is the IUPAC name of ethane;2,5,7-trimethylindazole?
The IUPAC name of ethane;2,5,7-trimethylindazole (CID 156845071) is ethane;2,5,7-trimethylindazole.
What is the SMILES notation for ethane;2,5,7-trimethylindazole?
The canonical SMILES for ethane;2,5,7-trimethylindazole is CC.Cc1cc(C)c2nn(C)cc2c1.
What is the InChIKey of ethane;2,5,7-trimethylindazole?
The InChIKey is LDPOAOHELXMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-7-4-8(2)10-9(5-7)6-12(3)11-10;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;2,5,7-trimethylindazole?
ethane;2,5,7-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;2,5,7-trimethylindazole is sourced from PubChem (CID 156845071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).