1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride

C9H11BrClN5 — CID 122714845

IUPAC1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1nnnn1-c1cccc(Br)c1.Cl
InChIInChI=1S/C9H10BrN5.ClH/c1-6(11)9-12-13-14-15(9)8-4-2-3-7(10)5-8;/h2-6H,11H2,1H3;1H
InChIKeyYAVALGWODZNRLC-UHFFFAOYSA-N
MW304.58 g/mol
LogP1.87
Rot. Bonds2

About 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride

1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride (PubChem CID 122714845) has the molecular formula C9H11BrClN5 and a molecular weight of 304.58 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
PubChem CID122714845
Molecular FormulaC9H11BrClN5
Molecular Weight304.58 g/mol
Exact Mass302.99
IUPAC Name1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1nnnn1-c1cccc(Br)c1.Cl
InChIInChI=1S/C9H10BrN5.ClH/c1-6(11)9-12-13-14-15(9)8-4-2-3-7(10)5-8;/h2-6H,11H2,1H3;1H
InChIKeyYAVALGWODZNRLC-UHFFFAOYSA-N
XLogP1.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103086014
1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103085118
1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084917
1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
CID 103084802
1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine
CID 43829237
(2S)-N-[(3-bromophenyl)-[1-(3-bromophenyl)tetrazol-5-yl]methyl]-1-methoxybutan-2-amine
CID 167949791
5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole
CID 103084357
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
CID 103084958
1-[1-(4-chloro-3-nitrophenyl)tetrazol-5-yl]ethanamine
CID 82227925
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103085965

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride (CID 122714845) is 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride is CC(N)c1nnnn1-c1cccc(Br)c1.Cl.
What is the InChIKey of 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride?
The InChIKey is YAVALGWODZNRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5.ClH/c1-6(11)9-12-13-14-15(9)8-4-2-3-7(10)5-8;/h2-6H,11H2,1H3;1H.
What are the key properties of 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride?
1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride has a molecular weight of 304.58 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 122714845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).