(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol

C17H17F2N3O — CID 11573271

IUPAC(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol
SMILESCC(C)(C)c1nnc2ccc(C(O)c3ccc(F)cc3F)cn12
InChIInChI=1S/C17H17F2N3O/c1-17(2,3)16-21-20-14-7-4-10(9-22(14)16)15(23)12-6-5-11(18)8-13(12)19/h4-9,15,23H,1-3H3
InChIKeyYDMSURHTCVTHHE-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.39
Rot. Bonds2

About (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol

(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol (PubChem CID 11573271) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol
PubChem CID11573271
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol
SMILESCC(C)(C)c1nnc2ccc(C(O)c3ccc(F)cc3F)cn12
InChIInChI=1S/C17H17F2N3O/c1-17(2,3)16-21-20-14-7-4-10(9-22(14)16)15(23)12-6-5-11(18)8-13(12)19/h4-9,15,23H,1-3H3
InChIKeyYDMSURHTCVTHHE-UHFFFAOYSA-N
XLogP3.39
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol (CID 11573271) is (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol is CC(C)(C)c1nnc2ccc(C(O)c3ccc(F)cc3F)cn12.
What is the InChIKey of (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol?
The InChIKey is YDMSURHTCVTHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-17(2,3)16-21-20-14-7-4-10(9-22(14)16)15(23)12-6-5-11(18)8-13(12)19/h4-9,15,23H,1-3H3.
What are the key properties of (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol?
(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol has a molecular weight of 317.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 11573271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).