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

C10H11BrN4 — CID 82487209

IUPAC2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1nncn1-c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN4/c11-8-1-3-9(4-2-8)15-7-13-14-10(15)5-6-12/h1-4,7H,5-6,12H2
InChIKeyNGAMTKZFWGTUIS-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.53
Rot. Bonds3

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

2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82487209) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID82487209
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1nncn1-c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN4/c11-8-1-3-9(4-2-8)15-7-13-14-10(15)5-6-12/h1-4,7H,5-6,12H2
InChIKeyNGAMTKZFWGTUIS-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
4-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]-N,N-diethylaniline
CID 98016995
3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol
CID 84672362
[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 139034447
3-[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 56718171
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82476554
5-(2-aminoethyl)-2-(4-bromophenyl)-4H-1,2,4-triazol-3-one
CID 136954441
3-bromo-4-(4-chlorophenyl)-1,2,4-triazole
CID 172992633
3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393272
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 81071078

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine (CID 82487209) is 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine is NCCc1nncn1-c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is NGAMTKZFWGTUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-8-1-3-9(4-2-8)15-7-13-14-10(15)5-6-12/h1-4,7H,5-6,12H2.
What are the key properties of 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine?
2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 267.13 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82487209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).