1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine

C10H10BrFN4 — CID 79501971

IUPAC1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1ccc(F)cc1Br
InChIInChI=1S/C10H10BrFN4/c1-2-8-10(13)14-15-16(8)9-4-3-6(12)5-7(9)11/h3-5H,2,13H2,1H3
InChIKeyUWPOKXCAEADLLE-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.31
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine

1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine (PubChem CID 79501971) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine
PubChem CID79501971
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1ccc(F)cc1Br
InChIInChI=1S/C10H10BrFN4/c1-2-8-10(13)14-15-16(8)9-4-3-6(12)5-7(9)11/h3-5H,2,13H2,1H3
InChIKeyUWPOKXCAEADLLE-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine (CID 79501971) is 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine is CCc1c(N)nnn1-c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine?
The InChIKey is UWPOKXCAEADLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4/c1-2-8-10(13)14-15-16(8)9-4-3-6(12)5-7(9)11/h3-5H,2,13H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine?
1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine has a molecular weight of 285.12 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-5-ethyltriazol-4-amine is sourced from PubChem (CID 79501971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).