[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine

C10H12BrN5 — CID 107579309

IUPAC[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine
SMILESCc1cc(-n2nnnc2CN)cc(C)c1Br
InChIInChI=1S/C10H12BrN5/c1-6-3-8(4-7(2)10(6)11)16-9(5-12)13-14-15-16/h3-4H,5,12H2,1-2H3
InChIKeyNJOOQWXNIHIZKC-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.50
Rot. Bonds2

About [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine

[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine (PubChem CID 107579309) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine
PubChem CID107579309
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine
SMILESCc1cc(-n2nnnc2CN)cc(C)c1Br
InChIInChI=1S/C10H12BrN5/c1-6-3-8(4-7(2)10(6)11)16-9(5-12)13-14-15-16/h3-4H,5,12H2,1-2H3
InChIKeyNJOOQWXNIHIZKC-UHFFFAOYSA-N
XLogP1.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
CID 82859823
[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine
CID 62735723
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 107577692
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228118
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
1-(3-bromo-5-methylphenyl)-5-ethyltetrazole
CID 107584067
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine (CID 107579309) is [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine is Cc1cc(-n2nnnc2CN)cc(C)c1Br.
What is the InChIKey of [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is NJOOQWXNIHIZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-6-3-8(4-7(2)10(6)11)16-9(5-12)13-14-15-16/h3-4H,5,12H2,1-2H3.
What are the key properties of [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine?
[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 282.15 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 107579309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).