[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine

C9H10BrN5O — CID 82859823

IUPAC[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
SMILESCOc1cc(Br)cc(-n2nnnc2CN)c1
InChIInChI=1S/C9H10BrN5O/c1-16-8-3-6(10)2-7(4-8)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3
InChIKeyPURLWJNWWWRRRP-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.89
Rot. Bonds3

About [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine

[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine (PubChem CID 82859823) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
PubChem CID82859823
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
SMILESCOc1cc(Br)cc(-n2nnnc2CN)c1
InChIInChI=1S/C9H10BrN5O/c1-16-8-3-6(10)2-7(4-8)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3
InChIKeyPURLWJNWWWRRRP-UHFFFAOYSA-N
XLogP0.89
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine
CID 107579309
2-[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]aniline
CID 82859286
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736103
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
1-(3-bromo-5-methylphenyl)-5-ethyltetrazole
CID 107584067
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine
CID 62735723
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine (CID 82859823) is [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine is COc1cc(Br)cc(-n2nnnc2CN)c1.
What is the InChIKey of [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine?
The InChIKey is PURLWJNWWWRRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-16-8-3-6(10)2-7(4-8)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3.
What are the key properties of [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine?
[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine has a molecular weight of 284.12 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 82859823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).