5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine

C11H11F3N4 — CID 79508736

IUPAC5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine
SMILESCCCc1c(N)nnn1-c1cc(F)cc(F)c1F
InChIInChI=1S/C11H11F3N4/c1-2-3-8-11(15)16-17-18(8)9-5-6(12)4-7(13)10(9)14/h4-5H,2-3,15H2,1H3
InChIKeySKSJFTIXYRBPSP-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.22
Rot. Bonds3

About 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine

5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine (PubChem CID 79508736) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine.

Molecular Properties

Compound Name5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine
PubChem CID79508736
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine
SMILESCCCc1c(N)nnn1-c1cc(F)cc(F)c1F
InChIInChI=1S/C11H11F3N4/c1-2-3-8-11(15)16-17-18(8)9-5-6(12)4-7(13)10(9)14/h4-5H,2-3,15H2,1H3
InChIKeySKSJFTIXYRBPSP-UHFFFAOYSA-N
XLogP2.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine?
The IUPAC name of 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine (CID 79508736) is 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine.
What is the SMILES notation for 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine?
The canonical SMILES for 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine is CCCc1c(N)nnn1-c1cc(F)cc(F)c1F.
What is the InChIKey of 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine?
The InChIKey is SKSJFTIXYRBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-2-3-8-11(15)16-17-18(8)9-5-6(12)4-7(13)10(9)14/h4-5H,2-3,15H2,1H3.
What are the key properties of 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine?
5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine has a molecular weight of 256.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-(2,3,5-trifluorophenyl)triazol-4-amine is sourced from PubChem (CID 79508736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).