2-methylpyridazin-2-ium-3-amine tetrafluoroborate

C5H8BF4N3 — CID 19788480

IUPAC2-methylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESC[n+]1ncccc1N.F[B-](F)(F)F
InChIInChI=1S/C5H7N3.BF4/c1-8-5(6)3-2-4-7-8;2-1(3,4)5/h2-4,6H,1H3;/q;-1/p+1
InChIKeyFTSPRTRMJQHEBG-UHFFFAOYSA-O
MW196.94 g/mol
LogP0.79
Rot. Bonds

About 2-methylpyridazin-2-ium-3-amine tetrafluoroborate

2-methylpyridazin-2-ium-3-amine tetrafluoroborate (PubChem CID 19788480) has the molecular formula C5H8BF4N3 and a molecular weight of 196.94 g/mol. Its IUPAC name is 2-methylpyridazin-2-ium-3-amine tetrafluoroborate.

Molecular Properties

Compound Name2-methylpyridazin-2-ium-3-amine tetrafluoroborate
PubChem CID19788480
Molecular FormulaC5H8BF4N3
Molecular Weight196.94 g/mol
Exact Mass197.07
IUPAC Name2-methylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESC[n+]1ncccc1N.F[B-](F)(F)F
InChIInChI=1S/C5H7N3.BF4/c1-8-5(6)3-2-4-7-8;2-1(3,4)5/h2-4,6H,1H3;/q;-1/p+1
InChIKeyFTSPRTRMJQHEBG-UHFFFAOYSA-O
XLogP0.79
TPSA42.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.94
LogP ≤ 50.79
H-Bond Donors ≤ 51
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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Related Compounds

N-methylpyridazin-3-amine
CID 19831906
N-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
6-Fluoro-2-methylpyridazin-2-ium-3-amine
CID 19788546
6-Fluoro-2-prop-2-enylpyridazin-2-ium-3-amine
CID 53979722
N,N-dimethylpyridazin-3-amine
CID 15154481
N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 63226885
N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine
CID 106293856
N-(3,3-difluoropropyl)pyridazin-3-amine
CID 130669986
N-(2,2-difluoropropyl)pyridazin-3-amine
CID 131160566
n-(2,2-Difluorobutyl)pyridazin-3-amine
CID 164654648
2-Methylpyridazin-2-ium-3-amine
CID 19788481

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridazin-2-ium-3-amine tetrafluoroborate?
The IUPAC name of 2-methylpyridazin-2-ium-3-amine tetrafluoroborate (CID 19788480) is 2-methylpyridazin-2-ium-3-amine tetrafluoroborate.
What is the SMILES notation for 2-methylpyridazin-2-ium-3-amine tetrafluoroborate?
The canonical SMILES for 2-methylpyridazin-2-ium-3-amine tetrafluoroborate is C[n+]1ncccc1N.F[B-](F)(F)F.
What is the InChIKey of 2-methylpyridazin-2-ium-3-amine tetrafluoroborate?
The InChIKey is FTSPRTRMJQHEBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N3.BF4/c1-8-5(6)3-2-4-7-8;2-1(3,4)5/h2-4,6H,1H3;/q;-1/p+1.
What are the key properties of 2-methylpyridazin-2-ium-3-amine tetrafluoroborate?
2-methylpyridazin-2-ium-3-amine tetrafluoroborate has a molecular weight of 196.94 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridazin-2-ium-3-amine tetrafluoroborate is sourced from PubChem (CID 19788480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).