1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine

C11H12FIN4 — CID 79771810

IUPAC1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(F)cc1I
InChIInChI=1S/C11H12FIN4/c1-2-3-10-11(14)15-16-17(10)9-5-4-7(12)6-8(9)13/h4-6H,2-3,14H2,1H3
InChIKeyQPFBZVODJWPLAR-UHFFFAOYSA-N
MW346.15 g/mol
LogP2.55
Rot. Bonds3

About 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine

1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine (PubChem CID 79771810) has the molecular formula C11H12FIN4 and a molecular weight of 346.15 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine
PubChem CID79771810
Molecular FormulaC11H12FIN4
Molecular Weight346.15 g/mol
Exact Mass346.01
IUPAC Name1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(F)cc1I
InChIInChI=1S/C11H12FIN4/c1-2-3-10-11(14)15-16-17(10)9-5-4-7(12)6-8(9)13/h4-6H,2-3,14H2,1H3
InChIKeyQPFBZVODJWPLAR-UHFFFAOYSA-N
XLogP2.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine (CID 79771810) is 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1-c1ccc(F)cc1I.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine?
The InChIKey is QPFBZVODJWPLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FIN4/c1-2-3-10-11(14)15-16-17(10)9-5-4-7(12)6-8(9)13/h4-6H,2-3,14H2,1H3.
What are the key properties of 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine?
1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine has a molecular weight of 346.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 79771810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).