5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole

Name: 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₃BrN₄ — CID 177227506

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole

SMILESCn1nnnc1C1CC(c2ccc(Br)cc2)C1

InChIInChI=1S/C12H13BrN4/c1-17-12(14-15-16-17)10-6-9(7-10)8-2-4-11(13)5-3-8/h2-5,9-10H,6-7H2,1H3

InChIKeyZZLWMUSSIQUWMQ-UHFFFAOYSA-N

MW293.17 g/mol

LogP2.63

Rot. Bonds2

About 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole

5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole (PubChem CID 177227506) has the molecular formula C₁₂H₁₃BrN₄ and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole.

Molecular Properties

Compound Name	5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole
PubChem CID	177227506
Molecular Formula	C₁₂H₁₃BrN₄
Molecular Weight	293.17 g/mol
Exact Mass	292.03
IUPAC Name	5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole
SMILES	Cn1nnnc1C1CC(c2ccc(Br)cc2)C1
InChI	InChI=1S/C12H13BrN4/c1-17-12(14-15-16-17)10-6-9(7-10)8-2-4-11(13)5-3-8/h2-5,9-10H,6-7H2,1H3
InChIKey	ZZLWMUSSIQUWMQ-UHFFFAOYSA-N
XLogP	2.63
TPSA	43.60 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.17
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole?

The IUPAC name of 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole (CID 177227506) is 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole.

What is the SMILES notation for 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole?

The canonical SMILES for 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole is Cn1nnnc1C1CC(c2ccc(Br)cc2)C1.

What is the InChIKey of 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole?

The InChIKey is ZZLWMUSSIQUWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17-12(14-15-16-17)10-6-9(7-10)8-2-4-11(13)5-3-8/h2-5,9-10H,6-7H2,1H3.

What are the key properties of 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole?

5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole has a molecular weight of 293.17 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole is sourced from PubChem (CID 177227506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 177227506 — identifiers, structure, computed properties (public domain)

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