1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol

C16H13F3N4O — CID 134590165

IUPAC1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
SMILESCC(O)c1cccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c1F
InChIInChI=1S/C16H13F3N4O/c1-9(24)13-3-2-4-14(15(13)19)21-16-20-8-23(22-16)12-6-10(17)5-11(18)7-12/h2-9,24H,1H3,(H,21,22)
InChIKeyWMZUVKWJQPIJNS-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.48
Rot. Bonds4

About 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol

1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol (PubChem CID 134590165) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
PubChem CID134590165
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
SMILESCC(O)c1cccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c1F
InChIInChI=1S/C16H13F3N4O/c1-9(24)13-3-2-4-14(15(13)19)21-16-20-8-23(22-16)12-6-10(17)5-11(18)7-12/h2-9,24H,1H3,(H,21,22)
InChIKeyWMZUVKWJQPIJNS-UHFFFAOYSA-N
XLogP3.48
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
CID 134589675
1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine
CID 142371450
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine
CID 134589963
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine
CID 139297525
N-[3-(2,2-difluoroethoxy)-5-methylphenyl]-1-(3,5-difluorophenyl)-1,2,4-triazol-3-amine
CID 134589532
N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589402
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-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-amine
CID 134589674
3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol
CID 134589796
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 134589684

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol?
The IUPAC name of 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol (CID 134590165) is 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol is CC(O)c1cccc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c1F.
What is the InChIKey of 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol?
The InChIKey is WMZUVKWJQPIJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-9(24)13-3-2-4-14(15(13)19)21-16-20-8-23(22-16)12-6-10(17)5-11(18)7-12/h2-9,24H,1H3,(H,21,22).
What are the key properties of 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol?
1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol has a molecular weight of 334.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol is sourced from PubChem (CID 134590165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).