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

C13H9F2N5O — CID 130309554

IUPAC5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine
SMILESFc1cnc(OCc2cn(-c3cccc(F)c3)nn2)nc1
InChIInChI=1S/C13H9F2N5O/c14-9-2-1-3-12(4-9)20-7-11(18-19-20)8-21-13-16-5-10(15)6-17-13/h1-7H,8H2
InChIKeyIPUCKYRNTOYDCT-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.91
Rot. Bonds4

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

5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309554) has the molecular formula C13H9F2N5O and a molecular weight of 289.25 g/mol. Its IUPAC name is 5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine
PubChem CID130309554
Molecular FormulaC13H9F2N5O
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine
SMILESFc1cnc(OCc2cn(-c3cccc(F)c3)nn2)nc1
InChIInChI=1S/C13H9F2N5O/c14-9-2-1-3-12(4-9)20-7-11(18-19-20)8-21-13-16-5-10(15)6-17-13/h1-7H,8H2
InChIKeyIPUCKYRNTOYDCT-UHFFFAOYSA-N
XLogP1.91
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-[[1-(3-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-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine (CID 130309554) is 5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine is Fc1cnc(OCc2cn(-c3cccc(F)c3)nn2)nc1.
What is the InChIKey of 5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The InChIKey is IPUCKYRNTOYDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O/c14-9-2-1-3-12(4-9)20-7-11(18-19-20)8-21-13-16-5-10(15)6-17-13/h1-7H,8H2.
What are the key properties of 5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine?
5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine has a molecular weight of 289.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).