3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine

C6H9FN4 — CID 122194936

IUPAC3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(CCC[18F])nn1
InChIInChI=1S/C6H9FN4/c1-5-8-10-6(11-9-5)3-2-4-7/h2-4H2,1H3/i7-1
InChIKeyNHBHZXUDOLZBOY-JZRMKITLSA-N
MW155.17 g/mol
LogP0.48
Rot. Bonds3

About 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine

3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine (PubChem CID 122194936) has the molecular formula C6H9FN4 and a molecular weight of 155.17 g/mol. Its IUPAC name is 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine
PubChem CID122194936
Molecular FormulaC6H9FN4
Molecular Weight155.17 g/mol
Exact Mass155.08
IUPAC Name3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(CCC[18F])nn1
InChIInChI=1S/C6H9FN4/c1-5-8-10-6(11-9-5)3-2-4-7/h2-4H2,1H3/i7-1
InChIKeyNHBHZXUDOLZBOY-JZRMKITLSA-N
XLogP0.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine?
The IUPAC name of 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine (CID 122194936) is 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine?
The canonical SMILES for 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine is Cc1nnc(CCC[18F])nn1.
What is the InChIKey of 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine?
The InChIKey is NHBHZXUDOLZBOY-JZRMKITLSA-N. The full InChI is InChI=1S/C6H9FN4/c1-5-8-10-6(11-9-5)3-2-4-7/h2-4H2,1H3/i7-1.
What are the key properties of 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine?
3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine has a molecular weight of 155.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-(18F)fluoropropyl)-6-methyl-1,2,4,5-tetrazine is sourced from PubChem (CID 122194936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).