1-fluoro-1,3,5-triazin-1-ium

C3H3FN3+ — CID 22718961

IUPAC1-fluoro-1,3,5-triazin-1-ium
SMILESF[n+]1cncnc1
InChIInChI=1S/C3H3FN3/c4-7-2-5-1-6-3-7/h1-3H/q+1
InChIKeySECIOBKRWCYERQ-UHFFFAOYSA-N
MW100.08 g/mol
LogP-0.50
Rot. Bonds

About 1-fluoro-1,3,5-triazin-1-ium

1-fluoro-1,3,5-triazin-1-ium (PubChem CID 22718961) has the molecular formula C3H3FN3+ and a molecular weight of 100.08 g/mol. Its IUPAC name is 1-fluoro-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name1-fluoro-1,3,5-triazin-1-ium
PubChem CID22718961
Molecular FormulaC3H3FN3+
Molecular Weight100.08 g/mol
Exact Mass100.03
IUPAC Name1-fluoro-1,3,5-triazin-1-ium
SMILESF[n+]1cncnc1
InChIInChI=1S/C3H3FN3/c4-7-2-5-1-6-3-7/h1-3H/q+1
InChIKeySECIOBKRWCYERQ-UHFFFAOYSA-N
XLogP-0.50
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.08
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1,3,5-triazin-1-ium?
The IUPAC name of 1-fluoro-1,3,5-triazin-1-ium (CID 22718961) is 1-fluoro-1,3,5-triazin-1-ium.
What is the SMILES notation for 1-fluoro-1,3,5-triazin-1-ium?
The canonical SMILES for 1-fluoro-1,3,5-triazin-1-ium is F[n+]1cncnc1.
What is the InChIKey of 1-fluoro-1,3,5-triazin-1-ium?
The InChIKey is SECIOBKRWCYERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN3/c4-7-2-5-1-6-3-7/h1-3H/q+1.
What are the key properties of 1-fluoro-1,3,5-triazin-1-ium?
1-fluoro-1,3,5-triazin-1-ium has a molecular weight of 100.08 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,3,5-triazin-1-ium is sourced from PubChem (CID 22718961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).