4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol

C17H20F3N3O2 — CID 144811070

IUPAC4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol
SMILESOC1CCC(Oc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)15-13(25-12-5-3-11(24)4-6-12)7-8-23-14(9-10-1-2-10)21-22-16(15)23/h7-8,10-12,24H,1-6,9H2
InChIKeyPGOALNBTGVSOKV-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.38
Rot. Bonds4

About 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol

4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol (PubChem CID 144811070) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol
PubChem CID144811070
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol
SMILESOC1CCC(Oc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)15-13(25-12-5-3-11(24)4-6-12)7-8-23-14(9-10-1-2-10)21-22-16(15)23/h7-8,10-12,24H,1-6,9H2
InChIKeyPGOALNBTGVSOKV-UHFFFAOYSA-N
XLogP3.38
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol (CID 144811070) is 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol is OC1CCC(Oc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1.
What is the InChIKey of 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol?
The InChIKey is PGOALNBTGVSOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)15-13(25-12-5-3-11(24)4-6-12)7-8-23-14(9-10-1-2-10)21-22-16(15)23/h7-8,10-12,24H,1-6,9H2.
What are the key properties of 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol?
4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol has a molecular weight of 355.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol is sourced from PubChem (CID 144811070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).