3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline

C10H11FN4 — CID 62694280

IUPAC3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
SMILESCCn1cnnc1-c1cc(N)ccc1F
InChIInChI=1S/C10H11FN4/c1-2-15-6-13-14-10(15)8-5-7(12)3-4-9(8)11/h3-6H,2,12H2,1H3
InChIKeyPNARKGYOIZLSKK-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.69
Rot. Bonds2

About 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline

3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline (PubChem CID 62694280) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
PubChem CID62694280
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
SMILESCCn1cnnc1-c1cc(N)ccc1F
InChIInChI=1S/C10H11FN4/c1-2-15-6-13-14-10(15)8-5-7(12)3-4-9(8)11/h3-6H,2,12H2,1H3
InChIKeyPNARKGYOIZLSKK-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline?
The IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline (CID 62694280) is 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline?
The canonical SMILES for 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline is CCn1cnnc1-c1cc(N)ccc1F.
What is the InChIKey of 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline?
The InChIKey is PNARKGYOIZLSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-2-15-6-13-14-10(15)8-5-7(12)3-4-9(8)11/h3-6H,2,12H2,1H3.
What are the key properties of 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline?
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline has a molecular weight of 206.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline is sourced from PubChem (CID 62694280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).