6-(azepan-2-yl)-1H-indazole

C13H17N3 — CID 81146636

IUPAC6-(azepan-2-yl)-1H-indazole
SMILESc1cc2cn[nH]c2cc1C1CCCCCN1
InChIInChI=1S/C13H17N3/c1-2-4-12(14-7-3-1)10-5-6-11-9-15-16-13(11)8-10/h5-6,8-9,12,14H,1-4,7H2,(H,15,16)
InChIKeyIOBKOSGSUVJESG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.77
Rot. Bonds1

About 6-(azepan-2-yl)-1H-indazole

6-(azepan-2-yl)-1H-indazole (PubChem CID 81146636) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(azepan-2-yl)-1H-indazole.

Molecular Properties

Compound Name6-(azepan-2-yl)-1H-indazole
PubChem CID81146636
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6-(azepan-2-yl)-1H-indazole
SMILESc1cc2cn[nH]c2cc1C1CCCCCN1
InChIInChI=1S/C13H17N3/c1-2-4-12(14-7-3-1)10-5-6-11-9-15-16-13(11)8-10/h5-6,8-9,12,14H,1-4,7H2,(H,15,16)
InChIKeyIOBKOSGSUVJESG-UHFFFAOYSA-N
XLogP2.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-2-yl)-1H-indazole?
The IUPAC name of 6-(azepan-2-yl)-1H-indazole (CID 81146636) is 6-(azepan-2-yl)-1H-indazole.
What is the SMILES notation for 6-(azepan-2-yl)-1H-indazole?
The canonical SMILES for 6-(azepan-2-yl)-1H-indazole is c1cc2cn[nH]c2cc1C1CCCCCN1.
What is the InChIKey of 6-(azepan-2-yl)-1H-indazole?
The InChIKey is IOBKOSGSUVJESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-4-12(14-7-3-1)10-5-6-11-9-15-16-13(11)8-10/h5-6,8-9,12,14H,1-4,7H2,(H,15,16).
What are the key properties of 6-(azepan-2-yl)-1H-indazole?
6-(azepan-2-yl)-1H-indazole has a molecular weight of 215.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-2-yl)-1H-indazole is sourced from PubChem (CID 81146636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).