6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate

C7H11BF5N3 — CID 88601735

IUPAC6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESCN(C)c1ccc(F)n[n+]1C.F[B-](F)(F)F
InChIInChI=1S/C7H11FN3.BF4/c1-10(2)7-5-4-6(8)9-11(7)3;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1
InChIKeyFXJMZQMLVLFURU-UHFFFAOYSA-N
MW242.99 g/mol
LogP1.41
Rot. Bonds1

About 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate

6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate (PubChem CID 88601735) has the molecular formula C7H11BF5N3 and a molecular weight of 242.99 g/mol. Its IUPAC name is 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate.

Molecular Properties

Compound Name6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate
PubChem CID88601735
Molecular FormulaC7H11BF5N3
Molecular Weight242.99 g/mol
Exact Mass243.10
IUPAC Name6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESCN(C)c1ccc(F)n[n+]1C.F[B-](F)(F)F
InChIInChI=1S/C7H11FN3.BF4/c1-10(2)7-5-4-6(8)9-11(7)3;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1
InChIKeyFXJMZQMLVLFURU-UHFFFAOYSA-N
XLogP1.41
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.99
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-Fluoro-2-methylpyridazin-2-ium-3-amine
CID 19788546
6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine
CID 54129986
1-Methyl-3,6-bis(dimethylamino)pyridazinium iodide
CID 129787351
6-Fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium
CID 88601902
6-Fluoro-N,N-dimethylpyridazin-3-amine
CID 119089786
3,6-Difluoro-1-methylpyridazinium tetrafluoroborate
CID 19788509
6-Fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate
CID 19788545
6-Fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate
CID 88601901
6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine tetrafluoroborate
CID 88601916
6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate
CID 88601942
N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate
CID 19788472
N,N,2-trimethylpyridazin-2-ium-3-amine
CID 19788473

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate?
The IUPAC name of 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate (CID 88601735) is 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate.
What is the SMILES notation for 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate?
The canonical SMILES for 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate is CN(C)c1ccc(F)n[n+]1C.F[B-](F)(F)F.
What is the InChIKey of 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate?
The InChIKey is FXJMZQMLVLFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN3.BF4/c1-10(2)7-5-4-6(8)9-11(7)3;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1.
What are the key properties of 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate?
6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate has a molecular weight of 242.99 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate is sourced from PubChem (CID 88601735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).