3-(2H-tetrazol-5-yl)-1H-indole

C9H7N5 — CID 135637718

IUPAC3-(2H-tetrazol-5-yl)-1H-indole
SMILESc1ccc2c(-c3nn[nH]n3)c[nH]c2c1
InChIInChI=1S/C9H7N5/c1-2-4-8-6(3-1)7(5-10-8)9-11-13-14-12-9/h1-5,10H,(H,11,12,13,14)
InChIKeyGFGUGAXVWPVZFQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.35
Rot. Bonds1

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

3-(2H-tetrazol-5-yl)-1H-indole (PubChem CID 135637718) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-1H-indole
PubChem CID135637718
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name3-(2H-tetrazol-5-yl)-1H-indole
SMILESc1ccc2c(-c3nn[nH]n3)c[nH]c2c1
InChIInChI=1S/C9H7N5/c1-2-4-8-6(3-1)7(5-10-8)9-11-13-14-12-9/h1-5,10H,(H,11,12,13,14)
InChIKeyGFGUGAXVWPVZFQ-UHFFFAOYSA-N
XLogP1.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Methyltryptamine
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3,3'-Diindolylmethane
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1H-Indol-3-Ylmethanamine
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Tryptamine hydrochloride
CID 67652
N-Methyl-1H-indole-3-methanamine
CID 96388
Tryptaminium
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CID 2761023

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-1H-indole?
The IUPAC name of 3-(2H-tetrazol-5-yl)-1H-indole (CID 135637718) is 3-(2H-tetrazol-5-yl)-1H-indole.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-1H-indole?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-1H-indole is c1ccc2c(-c3nn[nH]n3)c[nH]c2c1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-1H-indole?
The InChIKey is GFGUGAXVWPVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-4-8-6(3-1)7(5-10-8)9-11-13-14-12-9/h1-5,10H,(H,11,12,13,14).
What are the key properties of 3-(2H-tetrazol-5-yl)-1H-indole?
3-(2H-tetrazol-5-yl)-1H-indole has a molecular weight of 185.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-1H-indole is sourced from PubChem (CID 135637718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).