4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine

C18H12FN5O2 — CID 75512150

IUPAC4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine
SMILESFc1ccc(Oc2ccnc(Oc3cccc(-n4cncn4)c3)n2)cc1
InChIInChI=1S/C18H12FN5O2/c19-13-4-6-15(7-5-13)25-17-8-9-21-18(23-17)26-16-3-1-2-14(10-16)24-12-20-11-22-24/h1-12H
InChIKeyCIGPTYMLAXJLTQ-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.78
Rot. Bonds5

About 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine

4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine (PubChem CID 75512150) has the molecular formula C18H12FN5O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine
PubChem CID75512150
Molecular FormulaC18H12FN5O2
Molecular Weight349.33 g/mol
Exact Mass349.10
IUPAC Name4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine
SMILESFc1ccc(Oc2ccnc(Oc3cccc(-n4cncn4)c3)n2)cc1
InChIInChI=1S/C18H12FN5O2/c19-13-4-6-15(7-5-13)25-17-8-9-21-18(23-17)26-16-3-1-2-14(10-16)24-12-20-11-22-24/h1-12H
InChIKeyCIGPTYMLAXJLTQ-UHFFFAOYSA-N
XLogP3.78
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine (CID 75512150) is 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine is Fc1ccc(Oc2ccnc(Oc3cccc(-n4cncn4)c3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine?
The InChIKey is CIGPTYMLAXJLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2/c19-13-4-6-15(7-5-13)25-17-8-9-21-18(23-17)26-16-3-1-2-14(10-16)24-12-20-11-22-24/h1-12H.
What are the key properties of 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine?
4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine has a molecular weight of 349.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine is sourced from PubChem (CID 75512150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).