[1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride

C8H9BrClN5 — CID 72716160

IUPAC[1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1ccc(Br)cc1
InChIInChI=1S/C8H8BrN5.ClH/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14;/h1-4H,5,10H2;1H
InChIKeySJTBGBIQVFNBPS-UHFFFAOYSA-N
MW290.55 g/mol
LogP1.31
Rot. Bonds2

About [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride

[1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride (PubChem CID 72716160) has the molecular formula C8H9BrClN5 and a molecular weight of 290.55 g/mol. Its IUPAC name is [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride
PubChem CID72716160
Molecular FormulaC8H9BrClN5
Molecular Weight290.55 g/mol
Exact Mass288.97
IUPAC Name[1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1ccc(Br)cc1
InChIInChI=1S/C8H8BrN5.ClH/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14;/h1-4H,5,10H2;1H
InChIKeySJTBGBIQVFNBPS-UHFFFAOYSA-N
XLogP1.31
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride (CID 72716160) is [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride is Cl.NCc1nnnn1-c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride?
The InChIKey is SJTBGBIQVFNBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5.ClH/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14;/h1-4H,5,10H2;1H.
What are the key properties of [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride?
[1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride has a molecular weight of 290.55 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)tetrazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 72716160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).