4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol

C19H19F3N4O2 — CID 71235292

IUPAC4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)28-16-3-1-2-12(10-16)18-25-24-17-9-6-14(11-26(17)18)23-13-4-7-15(27)8-5-13/h1-3,6,9-11,13,15,23,27H,4-5,7-8H2
InChIKeyYSWUHTVVPRCWJG-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.01
Rot. Bonds4

About 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol

4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol (PubChem CID 71235292) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol
PubChem CID71235292
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)28-16-3-1-2-12(10-16)18-25-24-17-9-6-14(11-26(17)18)23-13-4-7-15(27)8-5-13/h1-3,6,9-11,13,15,23,27H,4-5,7-8H2
InChIKeyYSWUHTVVPRCWJG-UHFFFAOYSA-N
XLogP4.01
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol (CID 71235292) is 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1.
What is the InChIKey of 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is YSWUHTVVPRCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)28-16-3-1-2-12(10-16)18-25-24-17-9-6-14(11-26(17)18)23-13-4-7-15(27)8-5-13/h1-3,6,9-11,13,15,23,27H,4-5,7-8H2.
What are the key properties of 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol?
4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 392.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71235292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).