3-fluoro-6-methyl-1,2,4-triazine

C4H4FN3 — CID 59059061

IUPAC3-fluoro-6-methyl-1,2,4-triazine
SMILESCc1cnc(F)nn1
InChIInChI=1S/C4H4FN3/c1-3-2-6-4(5)8-7-3/h2H,1H3
InChIKeyOOVHFOUQKDOCDF-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.32
Rot. Bonds

About 3-fluoro-6-methyl-1,2,4-triazine

3-fluoro-6-methyl-1,2,4-triazine (PubChem CID 59059061) has the molecular formula C4H4FN3 and a molecular weight of 113.09 g/mol. Its IUPAC name is 3-fluoro-6-methyl-1,2,4-triazine.

Molecular Properties

Compound Name3-fluoro-6-methyl-1,2,4-triazine
PubChem CID59059061
Molecular FormulaC4H4FN3
Molecular Weight113.09 g/mol
Exact Mass113.04
IUPAC Name3-fluoro-6-methyl-1,2,4-triazine
SMILESCc1cnc(F)nn1
InChIInChI=1S/C4H4FN3/c1-3-2-6-4(5)8-7-3/h2H,1H3
InChIKeyOOVHFOUQKDOCDF-UHFFFAOYSA-N
XLogP0.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-1,2,4-triazine?
The IUPAC name of 3-fluoro-6-methyl-1,2,4-triazine (CID 59059061) is 3-fluoro-6-methyl-1,2,4-triazine.
What is the SMILES notation for 3-fluoro-6-methyl-1,2,4-triazine?
The canonical SMILES for 3-fluoro-6-methyl-1,2,4-triazine is Cc1cnc(F)nn1.
What is the InChIKey of 3-fluoro-6-methyl-1,2,4-triazine?
The InChIKey is OOVHFOUQKDOCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3/c1-3-2-6-4(5)8-7-3/h2H,1H3.
What are the key properties of 3-fluoro-6-methyl-1,2,4-triazine?
3-fluoro-6-methyl-1,2,4-triazine has a molecular weight of 113.09 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-1,2,4-triazine is sourced from PubChem (CID 59059061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).