3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine

C12H12FN3O — CID 130395972

IUPAC3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cnnc(Oc2cccc(F)c2)n1
InChIInChI=1S/C12H12FN3O/c1-8(2)11-7-14-16-12(15-11)17-10-5-3-4-9(13)6-10/h3-8H,1-2H3
InChIKeyHKMWXRIVOXWWLD-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.93
Rot. Bonds3

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

3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine (PubChem CID 130395972) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine
PubChem CID130395972
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cnnc(Oc2cccc(F)c2)n1
InChIInChI=1S/C12H12FN3O/c1-8(2)11-7-14-16-12(15-11)17-10-5-3-4-9(13)6-10/h3-8H,1-2H3
InChIKeyHKMWXRIVOXWWLD-UHFFFAOYSA-N
XLogP2.93
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 16736033
CID 16736033
CID 16736018
CID 16736018
CID 53381937
CID 53381937
CID 53381931
CID 53381931
CID 53382009
CID 53382009
CID 82477200
CID 82477200
CID 82477201
CID 82477201
CID 104232204
CID 104232204
CID 132849072
CID 132849072
CID 133530244
CID 133530244
CID 133532434
CID 133532434
CID 133532974
CID 133532974

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine?
The IUPAC name of 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine (CID 130395972) is 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine is CC(C)c1cnnc(Oc2cccc(F)c2)n1.
What is the InChIKey of 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine?
The InChIKey is HKMWXRIVOXWWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8(2)11-7-14-16-12(15-11)17-10-5-3-4-9(13)6-10/h3-8H,1-2H3.
What are the key properties of 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine?
3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine has a molecular weight of 233.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 130395972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).