1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine

C16H14F2N4 — CID 142371450

IUPAC1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine
SMILESCc1ccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)cc1C
InChIInChI=1S/C16H14F2N4/c1-10-3-4-14(5-11(10)2)20-16-19-9-22(21-16)15-7-12(17)6-13(18)8-15/h3-9H,1-2H3,(H,20,21)
InChIKeyCXAOVYKQMNKIGO-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.91
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine

1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine (PubChem CID 142371450) has the molecular formula C16H14F2N4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine
PubChem CID142371450
Molecular FormulaC16H14F2N4
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine
SMILESCc1ccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)cc1C
InChIInChI=1S/C16H14F2N4/c1-10-3-4-14(5-11(10)2)20-16-19-9-22(21-16)15-7-12(17)6-13(18)8-15/h3-9H,1-2H3,(H,20,21)
InChIKeyCXAOVYKQMNKIGO-UHFFFAOYSA-N
XLogP3.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-amine
CID 134589674
1-(3,5-difluorophenyl)-N-[4-methyl-3-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 134606156
1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
CID 134589675
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-1-N-(2-methoxyethyl)-5-methylbenzene-1,3-diamine
CID 142371440
N-[3-(2,2-difluoroethoxy)-5-methylphenyl]-1-(3,5-difluorophenyl)-1,2,4-triazol-3-amine
CID 134589532
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-3-N-[(2S)-3-methoxybutan-2-yl]-5-methylbenzene-1,3-diamine
CID 134606261
1-(3,5-difluorophenyl)-N-[3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 134589734
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-5-methyl-2-(oxetan-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 134589882
1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
CID 134590165
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-3-N-(3-methoxypropyl)-3-N,5-dimethylbenzene-1,3-diamine
CID 134606162

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine (CID 142371450) is 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine is Cc1ccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)cc1C.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is CXAOVYKQMNKIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4/c1-10-3-4-14(5-11(10)2)20-16-19-9-22(21-16)15-7-12(17)6-13(18)8-15/h3-9H,1-2H3,(H,20,21).
What are the key properties of 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine?
1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 300.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 142371450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).