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

C16H14F2N4O — CID 134589675

IUPAC1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
SMILESCCOc1cccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C16H14F2N4O/c1-2-23-15-5-3-4-13(9-15)20-16-19-10-22(21-16)14-7-11(17)6-12(18)8-14/h3-10H,2H2,1H3,(H,20,21)
InChIKeyDGMWMUWFRTVEMH-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.69
Rot. Bonds5

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

1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine (PubChem CID 134589675) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
PubChem CID134589675
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
SMILESCCOc1cccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C16H14F2N4O/c1-2-23-15-5-3-4-13(9-15)20-16-19-10-22(21-16)14-7-11(17)6-12(18)8-14/h3-10H,2H2,1H3,(H,20,21)
InChIKeyDGMWMUWFRTVEMH-UHFFFAOYSA-N
XLogP3.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
N-[3-(2,2-difluoroethoxy)-5-methylphenyl]-1-(3,5-difluorophenyl)-1,2,4-triazol-3-amine
CID 134589532
2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline
CID 141222673
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589763
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-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
CID 134590165
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-1-N-(2-methoxyethyl)-5-methylbenzene-1,3-diamine
CID 142371440
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
1-(3,4-difluorophenyl)-N-(3-fluoro-5-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134589554

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine (CID 134589675) is 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine is CCOc1cccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine?
The InChIKey is DGMWMUWFRTVEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-2-23-15-5-3-4-13(9-15)20-16-19-10-22(21-16)14-7-11(17)6-12(18)8-14/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine?
1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine has a molecular weight of 316.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).