5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine

C14H9ClF3N5O2 — CID 130309667

IUPAC5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)(F)Oc1cccc(-n2cc(COc3ncc(Cl)cn3)nn2)c1
InChIInChI=1S/C14H9ClF3N5O2/c15-9-5-19-13(20-6-9)24-8-10-7-23(22-21-10)11-2-1-3-12(4-11)25-14(16,17)18/h1-7H,8H2
InChIKeyXDXTYBOYGNCHQI-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.19
Rot. Bonds5

About 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine

5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309667) has the molecular formula C14H9ClF3N5O2 and a molecular weight of 371.71 g/mol. Its IUPAC name is 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID130309667
Molecular FormulaC14H9ClF3N5O2
Molecular Weight371.71 g/mol
Exact Mass371.04
IUPAC Name5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)(F)Oc1cccc(-n2cc(COc3ncc(Cl)cn3)nn2)c1
InChIInChI=1S/C14H9ClF3N5O2/c15-9-5-19-13(20-6-9)24-8-10-7-23(22-21-10)11-2-1-3-12(4-11)25-14(16,17)18/h1-7H,8H2
InChIKeyXDXTYBOYGNCHQI-UHFFFAOYSA-N
XLogP3.19
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (CID 130309667) is 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is FC(F)(F)Oc1cccc(-n2cc(COc3ncc(Cl)cn3)nn2)c1.
What is the InChIKey of 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is XDXTYBOYGNCHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5O2/c15-9-5-19-13(20-6-9)24-8-10-7-23(22-21-10)11-2-1-3-12(4-11)25-14(16,17)18/h1-7H,8H2.
What are the key properties of 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine has a molecular weight of 371.71 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).