2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine

C10H11BrN4 — CID 62677527

IUPAC2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine
SMILESCCc1nc(N)n(-c2ccccc2Br)n1
InChIInChI=1S/C10H11BrN4/c1-2-9-13-10(12)15(14-9)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKeyZZKSUSRCUVBLJU-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.17
Rot. Bonds2

About 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine

2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine (PubChem CID 62677527) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine
PubChem CID62677527
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine
SMILESCCc1nc(N)n(-c2ccccc2Br)n1
InChIInChI=1S/C10H11BrN4/c1-2-9-13-10(12)15(14-9)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKeyZZKSUSRCUVBLJU-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine (CID 62677527) is 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine is CCc1nc(N)n(-c2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine?
The InChIKey is ZZKSUSRCUVBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-2-9-13-10(12)15(14-9)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14).
What are the key properties of 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine?
2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine has a molecular weight of 267.13 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 62677527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).