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

C4H5FN4 — CID 122594279

IUPAC3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(C[18F])nn1
InChIInChI=1S/C4H5FN4/c1-3-6-8-4(2-5)9-7-3/h2H2,1H3/i5-1
InChIKeyQOVQCPJJZHAPOQ-SFIIULIVSA-N
MW127.11 g/mol
LogP0.04
Rot. Bonds1

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

3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine (PubChem CID 122594279) has the molecular formula C4H5FN4 and a molecular weight of 127.11 g/mol. Its IUPAC name is 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine
PubChem CID122594279
Molecular FormulaC4H5FN4
Molecular Weight127.11 g/mol
Exact Mass127.05
IUPAC Name3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine
SMILESCc1nnc(C[18F])nn1
InChIInChI=1S/C4H5FN4/c1-3-6-8-4(2-5)9-7-3/h2H2,1H3/i5-1
InChIKeyQOVQCPJJZHAPOQ-SFIIULIVSA-N
XLogP0.04
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine?
The IUPAC name of 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine (CID 122594279) is 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine?
The canonical SMILES for 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine is Cc1nnc(C[18F])nn1.
What is the InChIKey of 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine?
The InChIKey is QOVQCPJJZHAPOQ-SFIIULIVSA-N. The full InChI is InChI=1S/C4H5FN4/c1-3-6-8-4(2-5)9-7-3/h2H2,1H3/i5-1.
What are the key properties of 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine?
3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine has a molecular weight of 127.11 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-((18F)fluoromethyl)-6-methyl-1,2,4,5-tetrazine is sourced from PubChem (CID 122594279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).