3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine

C11H10FN3O — CID 53381931

IUPAC3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine
SMILESCc1cnnc(OCc2cccc(F)c2)n1
InChIInChI=1S/C11H10FN3O/c1-8-6-13-15-11(14-8)16-7-9-3-2-4-10(12)5-9/h2-6H,7H2,1H3
InChIKeyWONRWISQEVHQIB-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.90
Rot. Bonds3

About 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine

3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine (PubChem CID 53381931) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine
PubChem CID53381931
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine
SMILESCc1cnnc(OCc2cccc(F)c2)n1
InChIInChI=1S/C11H10FN3O/c1-8-6-13-15-11(14-8)16-7-9-3-2-4-10(12)5-9/h2-6H,7H2,1H3
InChIKeyWONRWISQEVHQIB-UHFFFAOYSA-N
XLogP1.90
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine (CID 53381931) is 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine is Cc1cnnc(OCc2cccc(F)c2)n1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine?
The InChIKey is WONRWISQEVHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-8-6-13-15-11(14-8)16-7-9-3-2-4-10(12)5-9/h2-6H,7H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine?
3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine has a molecular weight of 219.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxy]-5-methyl-1,2,4-triazine is sourced from PubChem (CID 53381931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).