3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole

C11H11N5 — CID 56666179

IUPAC3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole
SMILESc1ccc2c(CCc3nn[nH]n3)c[nH]c2c1
InChIInChI=1S/C11H11N5/c1-2-4-10-9(3-1)8(7-12-10)5-6-11-13-15-16-14-11/h1-4,7,12H,5-6H2,(H,13,14,15,16)
InChIKeyIMXAYMFKAFGJBH-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.47
Rot. Bonds3

About 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole

3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole (PubChem CID 56666179) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole
PubChem CID56666179
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole
SMILESc1ccc2c(CCc3nn[nH]n3)c[nH]c2c1
InChIInChI=1S/C11H11N5/c1-2-4-10-9(3-1)8(7-12-10)5-6-11-13-15-16-14-11/h1-4,7,12H,5-6H2,(H,13,14,15,16)
InChIKeyIMXAYMFKAFGJBH-UHFFFAOYSA-N
XLogP1.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole (CID 56666179) is 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole is c1ccc2c(CCc3nn[nH]n3)c[nH]c2c1.
What is the InChIKey of 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole?
The InChIKey is IMXAYMFKAFGJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-2-4-10-9(3-1)8(7-12-10)5-6-11-13-15-16-14-11/h1-4,7,12H,5-6H2,(H,13,14,15,16).
What are the key properties of 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole?
3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole has a molecular weight of 213.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole is sourced from PubChem (CID 56666179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).