2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine

C11H13BrN4 — CID 82489387

IUPAC2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCn1nc(-c2ccccc2Br)nc1CCN
InChIInChI=1S/C11H13BrN4/c1-16-10(6-7-13)14-11(15-16)8-4-2-3-5-9(8)12/h2-5H,6-7,13H2,1H3
InChIKeyWHAAWWQRQRQXGH-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.75
Rot. Bonds3

About 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine

2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82489387) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID82489387
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCn1nc(-c2ccccc2Br)nc1CCN
InChIInChI=1S/C11H13BrN4/c1-16-10(6-7-13)14-11(15-16)8-4-2-3-5-9(8)12/h2-5H,6-7,13H2,1H3
InChIKeyWHAAWWQRQRQXGH-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82480476
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487227
2-[2-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478691
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487224
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
2-[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]ethanamine
CID 96660424
N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 62734128
2-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 170869026

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine (CID 82489387) is 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine is Cn1nc(-c2ccccc2Br)nc1CCN.
What is the InChIKey of 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is WHAAWWQRQRQXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-16-10(6-7-13)14-11(15-16)8-4-2-3-5-9(8)12/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 281.16 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82489387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).