2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline

C15H19FN4 — CID 61360760

IUPAC2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline
SMILESCc1nnc(-c2ccc(F)cc2N)n1C1CCCCC1
InChIInChI=1S/C15H19FN4/c1-10-18-19-15(13-8-7-11(16)9-14(13)17)20(10)12-5-3-2-4-6-12/h7-9,12H,2-6,17H2,1H3
InChIKeyFBJKMRRKPSXJAK-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.48
Rot. Bonds2

About 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline

2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline (PubChem CID 61360760) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline
PubChem CID61360760
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline
SMILESCc1nnc(-c2ccc(F)cc2N)n1C1CCCCC1
InChIInChI=1S/C15H19FN4/c1-10-18-19-15(13-8-7-11(16)9-14(13)17)20(10)12-5-3-2-4-6-12/h7-9,12H,2-6,17H2,1H3
InChIKeyFBJKMRRKPSXJAK-UHFFFAOYSA-N
XLogP3.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.48
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 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline?
The IUPAC name of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline (CID 61360760) is 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline?
The canonical SMILES for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline is Cc1nnc(-c2ccc(F)cc2N)n1C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline?
The InChIKey is FBJKMRRKPSXJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-10-18-19-15(13-8-7-11(16)9-14(13)17)20(10)12-5-3-2-4-6-12/h7-9,12H,2-6,17H2,1H3.
What are the key properties of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline?
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline has a molecular weight of 274.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroaniline is sourced from PubChem (CID 61360760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).