5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine

C10H11FN4 — CID 62679814

IUPAC5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine
SMILESCCc1nc(N)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4/c1-2-9-13-10(12)15(14-9)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKeyHXQQFIFDTHLZFE-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.55
Rot. Bonds2

About 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine

5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine (PubChem CID 62679814) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine
PubChem CID62679814
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine
SMILESCCc1nc(N)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4/c1-2-9-13-10(12)15(14-9)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKeyHXQQFIFDTHLZFE-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine (CID 62679814) is 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine is CCc1nc(N)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine?
The InChIKey is HXQQFIFDTHLZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-2-9-13-10(12)15(14-9)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,13,14).
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine?
5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 62679814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).