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

C11H13BrN4 — CID 82489373

IUPAC2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCc1nc(CCN)nn1-c1ccccc1Br
InChIInChI=1S/C11H13BrN4/c1-8-14-11(6-7-13)15-16(8)10-5-3-2-4-9(10)12/h2-5H,6-7,13H2,1H3
InChIKeyRNVMKQKXMFJCIK-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.84
Rot. Bonds3

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

2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82489373) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID82489373
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCc1nc(CCN)nn1-c1ccccc1Br
InChIInChI=1S/C11H13BrN4/c1-8-14-11(6-7-13)15-16(8)10-5-3-2-4-9(10)12/h2-5H,6-7,13H2,1H3
InChIKeyRNVMKQKXMFJCIK-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667867
2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82490017
[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
CID 82091921
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584
3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 82471672
2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine
CID 62677527
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
2-[2-(2-bromophenyl)pyrazol-3-yl]ethanamine
CID 83902451
[2-bromo-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methanamine
CID 114879815
[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482823
1-(2-bromophenyl)-3-ethylpyrazol-5-amine
CID 82091920
3-[(2-bromophenyl)methyl]-1,5-dimethyl-1,2,4-triazole
CID 82486920

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine (CID 82489373) is 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine is Cc1nc(CCN)nn1-c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is RNVMKQKXMFJCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-8-14-11(6-7-13)15-16(8)10-5-3-2-4-9(10)12/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 281.16 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82489373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).