N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine

C10H11BrClN5 — CID 81275457

IUPACN-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(Cl)ccc1Br
InChIInChI=1S/C10H11BrClN5/c1-2-13-6-10-14-15-16-17(10)9-5-7(12)3-4-8(9)11/h3-5,13H,2,6H2,1H3
InChIKeyIDQYHPSYIOAUMO-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.19
Rot. Bonds4

About N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 81275457) has the molecular formula C10H11BrClN5 and a molecular weight of 316.59 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID81275457
Molecular FormulaC10H11BrClN5
Molecular Weight316.59 g/mol
Exact Mass314.99
IUPAC NameN-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(Cl)ccc1Br
InChIInChI=1S/C10H11BrClN5/c1-2-13-6-10-14-15-16-17(10)9-5-7(12)3-4-8(9)11/h3-5,13H,2,6H2,1H3
InChIKeyIDQYHPSYIOAUMO-UHFFFAOYSA-N
XLogP2.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine (CID 81275457) is N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1cc(Cl)ccc1Br.
What is the InChIKey of N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is IDQYHPSYIOAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN5/c1-2-13-6-10-14-15-16-17(10)9-5-7(12)3-4-8(9)11/h3-5,13H,2,6H2,1H3.
What are the key properties of N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 316.59 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 81275457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).