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

C12H13BrN4 — CID 177227506

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 Name5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole
PubChem CID177227506
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-[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
XLogP2.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole
CID 177227497
4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 146423214
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031
4-(4-bromophenyl)-1-methyl-4,5-dihydrotriazole
CID 155187775
[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane
CID 155744450
cis-(1S,3R)-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxylic acid
CID 67299544
5-(4-bromophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 3447781
5-[[2-(4-bromophenyl)pyrrolidin-1-yl]methyl]-1-butyltetrazole
CID 55829935
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
3-(4-bromophenyl)-1-methylpiperidine
CID 58367593
7-(4-bromophenyl)-5-(4-chlorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4099627
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211

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).