ethane;5-methyl-1H-indazole

C14H26N2 — CID 178026047

IUPACethane;5-methyl-1H-indazole
SMILESCC.CC.CC.Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H8N2.3C2H6/c1-6-2-3-8-7(4-6)5-9-10-8;3*1-2/h2-5H,1H3,(H,9,10);3*1-2H3
InChIKeyWZSADTFYNDQABE-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.95
Rot. Bonds

About ethane;5-methyl-1H-indazole

ethane;5-methyl-1H-indazole (PubChem CID 178026047) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;5-methyl-1H-indazole.

Molecular Properties

Compound Nameethane;5-methyl-1H-indazole
PubChem CID178026047
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;5-methyl-1H-indazole
SMILESCC.CC.CC.Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H8N2.3C2H6/c1-6-2-3-8-7(4-6)5-9-10-8;3*1-2/h2-5H,1H3,(H,9,10);3*1-2H3
InChIKeyWZSADTFYNDQABE-UHFFFAOYSA-N
XLogP4.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-indazole?
The IUPAC name of ethane;5-methyl-1H-indazole (CID 178026047) is ethane;5-methyl-1H-indazole.
What is the SMILES notation for ethane;5-methyl-1H-indazole?
The canonical SMILES for ethane;5-methyl-1H-indazole is CC.CC.CC.Cc1ccc2[nH]ncc2c1.
What is the InChIKey of ethane;5-methyl-1H-indazole?
The InChIKey is WZSADTFYNDQABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.3C2H6/c1-6-2-3-8-7(4-6)5-9-10-8;3*1-2/h2-5H,1H3,(H,9,10);3*1-2H3.
What are the key properties of ethane;5-methyl-1H-indazole?
ethane;5-methyl-1H-indazole has a molecular weight of 222.38 g/mol, XLogP of 4.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-indazole is sourced from PubChem (CID 178026047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).