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

C9H7N5 — CID 11148116

IUPAC1-(2H-tetrazol-5-yl)indole
SMILESc1ccc2c(c1)ccn2-c1nn[nH]n1
InChIInChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-6-14(8)9-10-12-13-11-9/h1-6H,(H,10,11,12,13)
InChIKeyDPRXWKPFWJEJRM-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.14
Rot. Bonds1

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

1-(2H-tetrazol-5-yl)indole (PubChem CID 11148116) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)indole
PubChem CID11148116
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name1-(2H-tetrazol-5-yl)indole
SMILESc1ccc2c(c1)ccn2-c1nn[nH]n1
InChIInChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-6-14(8)9-10-12-13-11-9/h1-6H,(H,10,11,12,13)
InChIKeyDPRXWKPFWJEJRM-UHFFFAOYSA-N
XLogP1.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)indole?
The IUPAC name of 1-(2H-tetrazol-5-yl)indole (CID 11148116) is 1-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 1-(2H-tetrazol-5-yl)indole is c1ccc2c(c1)ccn2-c1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)indole?
The InChIKey is DPRXWKPFWJEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-6-14(8)9-10-12-13-11-9/h1-6H,(H,10,11,12,13).
What are the key properties of 1-(2H-tetrazol-5-yl)indole?
1-(2H-tetrazol-5-yl)indole has a molecular weight of 185.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 11148116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).