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

C11H12BrFN4 — CID 107627744

IUPAC1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1cc(F)ccc1Br
InChIInChI=1S/C11H12BrFN4/c1-2-3-9-11(14)15-16-17(9)10-6-7(13)4-5-8(10)12/h4-6H,2-3,14H2,1H3
InChIKeyWAARCBNBABHYHH-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.70
Rot. Bonds3

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

1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine (PubChem CID 107627744) has the molecular formula C11H12BrFN4 and a molecular weight of 299.15 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine
PubChem CID107627744
Molecular FormulaC11H12BrFN4
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1cc(F)ccc1Br
InChIInChI=1S/C11H12BrFN4/c1-2-3-9-11(14)15-16-17(9)10-6-7(13)4-5-8(10)12/h4-6H,2-3,14H2,1H3
InChIKeyWAARCBNBABHYHH-UHFFFAOYSA-N
XLogP2.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-5-propyltriazol-4-amine
CID 79502072
1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine
CID 79771810
5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine
CID 79508736
1-(2-fluoro-3-methylphenyl)-5-propyltriazol-4-amine
CID 114254060
1-(5-bromo-2-methylphenyl)-5-propyltriazol-4-amine
CID 79507972
1-(2-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
CID 79502997
1-(5-bromo-2-chlorophenyl)-5-propyltriazol-4-amine
CID 79508417
1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine
CID 107531709
1-(4-bromophenyl)-5-propyltriazol-4-amine
CID 79502698
1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
CID 79502414
1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine
CID 79501310
1-(2-bromo-5-methylphenyl)-5-propyltriazole-4-carboxylic acid
CID 82757686

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine (CID 107627744) is 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1-c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine?
The InChIKey is WAARCBNBABHYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4/c1-2-3-9-11(14)15-16-17(9)10-6-7(13)4-5-8(10)12/h4-6H,2-3,14H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine?
1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine has a molecular weight of 299.15 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 107627744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).