3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine

C10H8FN3O — CID 53381937

IUPAC3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine
SMILESCc1cnnc(Oc2cccc(F)c2)n1
InChIInChI=1S/C10H8FN3O/c1-7-6-12-14-10(13-7)15-9-4-2-3-8(11)5-9/h2-6H,1H3
InChIKeyBUEVPKKOMSJYIU-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.11
Rot. Bonds2

About 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine

3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine (PubChem CID 53381937) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine
PubChem CID53381937
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine
SMILESCc1cnnc(Oc2cccc(F)c2)n1
InChIInChI=1S/C10H8FN3O/c1-7-6-12-14-10(13-7)15-9-4-2-3-8(11)5-9/h2-6H,1H3
InChIKeyBUEVPKKOMSJYIU-UHFFFAOYSA-N
XLogP2.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine?
The IUPAC name of 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine (CID 53381937) is 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine.
What is the SMILES notation for 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine?
The canonical SMILES for 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine is Cc1cnnc(Oc2cccc(F)c2)n1.
What is the InChIKey of 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine?
The InChIKey is BUEVPKKOMSJYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-7-6-12-14-10(13-7)15-9-4-2-3-8(11)5-9/h2-6H,1H3.
What are the key properties of 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine?
3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine has a molecular weight of 205.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine is sourced from PubChem (CID 53381937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).