3-(1-methylcyclononyl)-2H-indazole

C17H24N2 — CID 173176803

IUPAC3-(1-methylcyclononyl)-2H-indazole
SMILESCC1(c2[nH]nc3ccccc23)CCCCCCCC1
InChIInChI=1S/C17H24N2/c1-17(12-8-4-2-3-5-9-13-17)16-14-10-6-7-11-15(14)18-19-16/h6-7,10-11H,2-5,8-9,12-13H2,1H3,(H,18,19)
InChIKeySAQNDJWNODJDSW-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.95
Rot. Bonds1

About 3-(1-methylcyclononyl)-2H-indazole

3-(1-methylcyclononyl)-2H-indazole (PubChem CID 173176803) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(1-methylcyclononyl)-2H-indazole.

Molecular Properties

Compound Name3-(1-methylcyclononyl)-2H-indazole
PubChem CID173176803
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-(1-methylcyclononyl)-2H-indazole
SMILESCC1(c2[nH]nc3ccccc23)CCCCCCCC1
InChIInChI=1S/C17H24N2/c1-17(12-8-4-2-3-5-9-13-17)16-14-10-6-7-11-15(14)18-19-16/h6-7,10-11H,2-5,8-9,12-13H2,1H3,(H,18,19)
InChIKeySAQNDJWNODJDSW-UHFFFAOYSA-N
XLogP4.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclononyl)-2H-indazole?
The IUPAC name of 3-(1-methylcyclononyl)-2H-indazole (CID 173176803) is 3-(1-methylcyclononyl)-2H-indazole.
What is the SMILES notation for 3-(1-methylcyclononyl)-2H-indazole?
The canonical SMILES for 3-(1-methylcyclononyl)-2H-indazole is CC1(c2[nH]nc3ccccc23)CCCCCCCC1.
What is the InChIKey of 3-(1-methylcyclononyl)-2H-indazole?
The InChIKey is SAQNDJWNODJDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(12-8-4-2-3-5-9-13-17)16-14-10-6-7-11-15(14)18-19-16/h6-7,10-11H,2-5,8-9,12-13H2,1H3,(H,18,19).
What are the key properties of 3-(1-methylcyclononyl)-2H-indazole?
3-(1-methylcyclononyl)-2H-indazole has a molecular weight of 256.39 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclononyl)-2H-indazole is sourced from PubChem (CID 173176803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).