ethane;1,3,7-trimethylindazole

C14H24N2 — CID 171820763

IUPACethane;1,3,7-trimethylindazole
SMILESCC.CC.Cc1nn(C)c2c(C)cccc12
InChIInChI=1S/C10H12N2.2C2H6/c1-7-5-4-6-9-8(2)11-12(3)10(7)9;2*1-2/h4-6H,1-3H3;2*1-2H3
InChIKeyARTOPNHGNAUQPL-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.24
Rot. Bonds

About ethane;1,3,7-trimethylindazole

ethane;1,3,7-trimethylindazole (PubChem CID 171820763) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;1,3,7-trimethylindazole.

Molecular Properties

Compound Nameethane;1,3,7-trimethylindazole
PubChem CID171820763
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;1,3,7-trimethylindazole
SMILESCC.CC.Cc1nn(C)c2c(C)cccc12
InChIInChI=1S/C10H12N2.2C2H6/c1-7-5-4-6-9-8(2)11-12(3)10(7)9;2*1-2/h4-6H,1-3H3;2*1-2H3
InChIKeyARTOPNHGNAUQPL-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,7-trimethylindazole?
The IUPAC name of ethane;1,3,7-trimethylindazole (CID 171820763) is ethane;1,3,7-trimethylindazole.
What is the SMILES notation for ethane;1,3,7-trimethylindazole?
The canonical SMILES for ethane;1,3,7-trimethylindazole is CC.CC.Cc1nn(C)c2c(C)cccc12.
What is the InChIKey of ethane;1,3,7-trimethylindazole?
The InChIKey is ARTOPNHGNAUQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-7-5-4-6-9-8(2)11-12(3)10(7)9;2*1-2/h4-6H,1-3H3;2*1-2H3.
What are the key properties of ethane;1,3,7-trimethylindazole?
ethane;1,3,7-trimethylindazole has a molecular weight of 220.36 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,7-trimethylindazole is sourced from PubChem (CID 171820763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).