5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole

C10H10N6 — CID 71695774

IUPAC5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole
SMILESc1cc2[nH]ncc2cc1CCc1nn[nH]n1
InChIInChI=1S/C10H10N6/c1-3-9-8(6-11-12-9)5-7(1)2-4-10-13-15-16-14-10/h1,3,5-6H,2,4H2,(H,11,12)(H,13,14,15,16)
InChIKeyAFTKSYWTEVKVBX-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.86
Rot. Bonds3

About 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole

5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole (PubChem CID 71695774) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole.

Molecular Properties

Compound Name5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole
PubChem CID71695774
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole
SMILESc1cc2[nH]ncc2cc1CCc1nn[nH]n1
InChIInChI=1S/C10H10N6/c1-3-9-8(6-11-12-9)5-7(1)2-4-10-13-15-16-14-10/h1,3,5-6H,2,4H2,(H,11,12)(H,13,14,15,16)
InChIKeyAFTKSYWTEVKVBX-UHFFFAOYSA-N
XLogP0.86
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole?
The IUPAC name of 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole (CID 71695774) is 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole.
What is the SMILES notation for 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole?
The canonical SMILES for 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole is c1cc2[nH]ncc2cc1CCc1nn[nH]n1.
What is the InChIKey of 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole?
The InChIKey is AFTKSYWTEVKVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-3-9-8(6-11-12-9)5-7(1)2-4-10-13-15-16-14-10/h1,3,5-6H,2,4H2,(H,11,12)(H,13,14,15,16).
What are the key properties of 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole?
5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole has a molecular weight of 214.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2H-tetrazol-5-yl)ethyl]-1H-indazole is sourced from PubChem (CID 71695774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).