6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C17H17F2N3O — CID 11493422

IUPAC6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(COCc3ccc(F)cc3F)cn12
InChIInChI=1S/C17H17F2N3O/c1-11(2)17-21-20-16-6-3-12(8-22(16)17)9-23-10-13-4-5-14(18)7-15(13)19/h3-8,11H,9-10H2,1-2H3
InChIKeyPQCRXAVGKNOAHK-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.85
Rot. Bonds5

About 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 11493422) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID11493422
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(COCc3ccc(F)cc3F)cn12
InChIInChI=1S/C17H17F2N3O/c1-11(2)17-21-20-16-6-3-12(8-22(16)17)9-23-10-13-4-5-14(18)7-15(13)19/h3-8,11H,9-10H2,1-2H3
InChIKeyPQCRXAVGKNOAHK-UHFFFAOYSA-N
XLogP3.85
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 11493422) is 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(COCc3ccc(F)cc3F)cn12.
What is the InChIKey of 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PQCRXAVGKNOAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-11(2)17-21-20-16-6-3-12(8-22(16)17)9-23-10-13-4-5-14(18)7-15(13)19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 317.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methoxymethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 11493422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).