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

C11H10BrFN4 — CID 79501970

IUPAC1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(-c2ccc(F)cc2Br)c1C1CC1
InChIInChI=1S/C11H10BrFN4/c12-8-5-7(13)3-4-9(8)17-10(6-1-2-6)11(14)15-16-17/h3-6H,1-2,14H2
InChIKeyAWGIKHDSTVYOHI-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.63
Rot. Bonds2

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

1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine (PubChem CID 79501970) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine
PubChem CID79501970
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(-c2ccc(F)cc2Br)c1C1CC1
InChIInChI=1S/C11H10BrFN4/c12-8-5-7(13)3-4-9(8)17-10(6-1-2-6)11(14)15-16-17/h3-6H,1-2,14H2
InChIKeyAWGIKHDSTVYOHI-UHFFFAOYSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.63
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-cyclopropyltriazol-4-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine (CID 79501970) is 1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine is Nc1nnn(-c2ccc(F)cc2Br)c1C1CC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine?
The InChIKey is AWGIKHDSTVYOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c12-8-5-7(13)3-4-9(8)17-10(6-1-2-6)11(14)15-16-17/h3-6H,1-2,14H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine?
1-(2-bromo-4-fluorophenyl)-5-cyclopropyltriazol-4-amine has a molecular weight of 297.13 g/mol, XLogP of 2.63, 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-cyclopropyltriazol-4-amine is sourced from PubChem (CID 79501970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).