5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine

C16H15FN4 — CID 164575593

IUPAC5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine
SMILESCN(C)c1nc(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C16H15FN4/c1-20(2)16-18-15(12-8-10-13(17)11-9-12)19-21(16)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyYCIFIMLVFSCDBS-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.14
Rot. Bonds3

About 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine

5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine (PubChem CID 164575593) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine
PubChem CID164575593
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine
SMILESCN(C)c1nc(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C16H15FN4/c1-20(2)16-18-15(12-8-10-13(17)11-9-12)19-21(16)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyYCIFIMLVFSCDBS-UHFFFAOYSA-N
XLogP3.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole
CID 22019234
1H-Tetrazole, 1,5-diphenyl-
CID 139033
1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
CID 821736
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
3-Biphenyl-4-yl-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 4391207
6-(2-fluorophenyl)-8-iodo-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 14851835
1H-1,2,4-Triazole, 1,3,5-triphenyl-
CID 563249
3,4-Diphenyl-4H-1,2,4-triazole
CID 5199040
N-[(3,4-difluorophenyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 137655957

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine (CID 164575593) is 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine is CN(C)c1nc(-c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine?
The InChIKey is YCIFIMLVFSCDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-20(2)16-18-15(12-8-10-13(17)11-9-12)19-21(16)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine?
5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine has a molecular weight of 282.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,N-dimethyl-2-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 164575593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).