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

C10H9N5 — CID 12015378

IUPAC3-(2H-tetrazol-5-ylmethyl)-1H-indole
SMILESc1ccc2c(Cc3nn[nH]n3)c[nH]c2c1
InChIInChI=1S/C10H9N5/c1-2-4-9-8(3-1)7(6-11-9)5-10-12-14-15-13-10/h1-4,6,11H,5H2,(H,12,13,14,15)
InChIKeyMJTYMRKMNLLKEA-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.27
Rot. Bonds2

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

3-(2H-tetrazol-5-ylmethyl)-1H-indole (PubChem CID 12015378) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-ylmethyl)-1H-indole.

Molecular Properties

Compound Name3-(2H-tetrazol-5-ylmethyl)-1H-indole
PubChem CID12015378
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name3-(2H-tetrazol-5-ylmethyl)-1H-indole
SMILESc1ccc2c(Cc3nn[nH]n3)c[nH]c2c1
InChIInChI=1S/C10H9N5/c1-2-4-9-8(3-1)7(6-11-9)5-10-12-14-15-13-10/h1-4,6,11H,5H2,(H,12,13,14,15)
InChIKeyMJTYMRKMNLLKEA-UHFFFAOYSA-N
XLogP1.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Skatole
CID 6736
Tryptamine
CID 1150
Rizatriptan
CID 5078
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-ylmethyl)-1H-indole?
The IUPAC name of 3-(2H-tetrazol-5-ylmethyl)-1H-indole (CID 12015378) is 3-(2H-tetrazol-5-ylmethyl)-1H-indole.
What is the SMILES notation for 3-(2H-tetrazol-5-ylmethyl)-1H-indole?
The canonical SMILES for 3-(2H-tetrazol-5-ylmethyl)-1H-indole is c1ccc2c(Cc3nn[nH]n3)c[nH]c2c1.
What is the InChIKey of 3-(2H-tetrazol-5-ylmethyl)-1H-indole?
The InChIKey is MJTYMRKMNLLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-2-4-9-8(3-1)7(6-11-9)5-10-12-14-15-13-10/h1-4,6,11H,5H2,(H,12,13,14,15).
What are the key properties of 3-(2H-tetrazol-5-ylmethyl)-1H-indole?
3-(2H-tetrazol-5-ylmethyl)-1H-indole has a molecular weight of 199.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-ylmethyl)-1H-indole is sourced from PubChem (CID 12015378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).