[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol

C14H15F2N3O2 — CID 105392053

IUPAC[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(-c3ccc(OC(F)F)cc3)n2C1
InChIInChI=1S/C14H15F2N3O2/c15-14(16)21-11-4-2-10(3-5-11)13-18-17-12-6-1-9(8-20)7-19(12)13/h2-5,9,14,20H,1,6-8H2
InChIKeyDBJWKCMLBBKFHY-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.10
Rot. Bonds4

About [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol

[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (PubChem CID 105392053) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
PubChem CID105392053
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(-c3ccc(OC(F)F)cc3)n2C1
InChIInChI=1S/C14H15F2N3O2/c15-14(16)21-11-4-2-10(3-5-11)13-18-17-12-6-1-9(8-20)7-19(12)13/h2-5,9,14,20H,1,6-8H2
InChIKeyDBJWKCMLBBKFHY-UHFFFAOYSA-N
XLogP2.10
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol with MolForge

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Related Compounds

[3-[3-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391919
3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 105392004
[3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392017
(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 71755954
[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 95970239
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110877849
[3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 107979566
[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
CID 47524579
[3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391959
4-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 83964917
[3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392205
[3-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 103217887

Frequently Asked Questions

What is the IUPAC name of [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The IUPAC name of [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CID 105392053) is [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is OCC1CCc2nnc(-c3ccc(OC(F)F)cc3)n2C1.
What is the InChIKey of [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The InChIKey is DBJWKCMLBBKFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c15-14(16)21-11-4-2-10(3-5-11)13-18-17-12-6-1-9(8-20)7-19(12)13/h2-5,9,14,20H,1,6-8H2.
What are the key properties of [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol has a molecular weight of 295.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is sourced from PubChem (CID 105392053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).