1-(3-bromo-5-methylphenyl)-5-ethyltetrazole

C10H11BrN4 — CID 107584067

IUPAC1-(3-bromo-5-methylphenyl)-5-ethyltetrazole
SMILESCCc1nnnn1-c1cc(C)cc(Br)c1
InChIInChI=1S/C10H11BrN4/c1-3-10-12-13-14-15(10)9-5-7(2)4-8(11)6-9/h4-6H,3H2,1-2H3
InChIKeyCOTBIQKYIOIPRA-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.30
Rot. Bonds2

About 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole

1-(3-bromo-5-methylphenyl)-5-ethyltetrazole (PubChem CID 107584067) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-5-ethyltetrazole
PubChem CID107584067
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name1-(3-bromo-5-methylphenyl)-5-ethyltetrazole
SMILESCCc1nnnn1-c1cc(C)cc(Br)c1
InChIInChI=1S/C10H11BrN4/c1-3-10-12-13-14-15(10)9-5-7(2)4-8(11)6-9/h4-6H,3H2,1-2H3
InChIKeyCOTBIQKYIOIPRA-UHFFFAOYSA-N
XLogP2.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-bromo-5-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107579345
3-bromo-5-(5-ethyltetrazol-1-yl)pyridine
CID 130487263
N-[[1-(3-bromo-5-methylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107579337
1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
CID 65431446
5-(chloromethyl)-1-(3-fluoro-5-methylphenyl)tetrazole
CID 79049286
4-[1-(3-bromo-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
CID 107577734
[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
CID 82859823
4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
CID 104815350
3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295190
[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine
CID 107579309
3-(5-ethyltetrazol-1-yl)aniline
CID 43424026
1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine
CID 96668613

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole (CID 107584067) is 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole is CCc1nnnn1-c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole?
The InChIKey is COTBIQKYIOIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-3-10-12-13-14-15(10)9-5-7(2)4-8(11)6-9/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole?
1-(3-bromo-5-methylphenyl)-5-ethyltetrazole has a molecular weight of 267.13 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-5-ethyltetrazole is sourced from PubChem (CID 107584067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).