3-fluoro-6-methyl-1,2,4,5-tetrazine

C3H3FN4 — CID 146596395

IUPAC3-fluoro-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(F)nn1
InChIInChI=1S/C3H3FN4/c1-2-5-7-3(4)8-6-2/h1H3
InChIKeyOFXJAFGTPYBDFZ-UHFFFAOYSA-N
MW114.08 g/mol
LogP-0.29
Rot. Bonds

About 3-fluoro-6-methyl-1,2,4,5-tetrazine

3-fluoro-6-methyl-1,2,4,5-tetrazine (PubChem CID 146596395) has the molecular formula C3H3FN4 and a molecular weight of 114.08 g/mol. Its IUPAC name is 3-fluoro-6-methyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-fluoro-6-methyl-1,2,4,5-tetrazine
PubChem CID146596395
Molecular FormulaC3H3FN4
Molecular Weight114.08 g/mol
Exact Mass114.03
IUPAC Name3-fluoro-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(F)nn1
InChIInChI=1S/C3H3FN4/c1-2-5-7-3(4)8-6-2/h1H3
InChIKeyOFXJAFGTPYBDFZ-UHFFFAOYSA-N
XLogP-0.29
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-1,2,4,5-tetrazine?
The IUPAC name of 3-fluoro-6-methyl-1,2,4,5-tetrazine (CID 146596395) is 3-fluoro-6-methyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-fluoro-6-methyl-1,2,4,5-tetrazine?
The canonical SMILES for 3-fluoro-6-methyl-1,2,4,5-tetrazine is Cc1nnc(F)nn1.
What is the InChIKey of 3-fluoro-6-methyl-1,2,4,5-tetrazine?
The InChIKey is OFXJAFGTPYBDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN4/c1-2-5-7-3(4)8-6-2/h1H3.
What are the key properties of 3-fluoro-6-methyl-1,2,4,5-tetrazine?
3-fluoro-6-methyl-1,2,4,5-tetrazine has a molecular weight of 114.08 g/mol, XLogP of -0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-1,2,4,5-tetrazine is sourced from PubChem (CID 146596395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).