2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine

C13H9F2N5O — CID 130309873

IUPAC2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine
SMILESFc1cccc(-n2cc(COc3ncccn3)nn2)c1F
InChIInChI=1S/C13H9F2N5O/c14-10-3-1-4-11(12(10)15)20-7-9(18-19-20)8-21-13-16-5-2-6-17-13/h1-7H,8H2
InChIKeyMWMFDQPXYFRZFX-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.91
Rot. Bonds4

About 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine

2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309873) has the molecular formula C13H9F2N5O and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine
PubChem CID130309873
Molecular FormulaC13H9F2N5O
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine
SMILESFc1cccc(-n2cc(COc3ncccn3)nn2)c1F
InChIInChI=1S/C13H9F2N5O/c14-10-3-1-4-11(12(10)15)20-7-9(18-19-20)8-21-13-16-5-2-6-17-13/h1-7H,8H2
InChIKeyMWMFDQPXYFRZFX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine (CID 130309873) is 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine is Fc1cccc(-n2cc(COc3ncccn3)nn2)c1F.
What is the InChIKey of 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The InChIKey is MWMFDQPXYFRZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O/c14-10-3-1-4-11(12(10)15)20-7-9(18-19-20)8-21-13-16-5-2-6-17-13/h1-7H,8H2.
What are the key properties of 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine?
2-[[1-(2,3-difluorophenyl)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 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).