5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine

C17H15F3N6O2 — CID 130309507

IUPAC5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFc1ccc(-n2cc(COc3ncc(N4CCC4)cn3)nn2)cc1OC(F)F
InChIInChI=1S/C17H15F3N6O2/c18-14-3-2-12(6-15(14)28-16(19)20)26-9-11(23-24-26)10-27-17-21-7-13(8-22-17)25-4-1-5-25/h2-3,6-9,16H,1,4-5,10H2
InChIKeyLYTXTYPRIVRMHZ-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.59
Rot. Bonds7

About 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine

5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309507) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID130309507
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFc1ccc(-n2cc(COc3ncc(N4CCC4)cn3)nn2)cc1OC(F)F
InChIInChI=1S/C17H15F3N6O2/c18-14-3-2-12(6-15(14)28-16(19)20)26-9-11(23-24-26)10-27-17-21-7-13(8-22-17)25-4-1-5-25/h2-3,6-9,16H,1,4-5,10H2
InChIKeyLYTXTYPRIVRMHZ-UHFFFAOYSA-N
XLogP2.59
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine 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 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine (CID 130309507) is 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine is Fc1ccc(-n2cc(COc3ncc(N4CCC4)cn3)nn2)cc1OC(F)F.
What is the InChIKey of 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is LYTXTYPRIVRMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-14-3-2-12(6-15(14)28-16(19)20)26-9-11(23-24-26)10-27-17-21-7-13(8-22-17)25-4-1-5-25/h2-3,6-9,16H,1,4-5,10H2.
What are the key properties of 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine?
5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine has a molecular weight of 392.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).