6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine

C8H13FN3+ — CID 54088032

IUPAC6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine
SMILESCC(C)Nc1ccc(F)n[n+]1C
InChIInChI=1S/C8H12FN3/c1-6(2)10-8-5-4-7(9)11-12(8)3/h4-6H,1-3H3/p+1
InChIKeyMRWFGNMYQBIASK-UHFFFAOYSA-O
MW170.21 g/mol
LogP0.87
Rot. Bonds2

About 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine

6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine (PubChem CID 54088032) has the molecular formula C8H13FN3+ and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine
PubChem CID54088032
Molecular FormulaC8H13FN3+
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine
SMILESCC(C)Nc1ccc(F)n[n+]1C
InChIInChI=1S/C8H12FN3/c1-6(2)10-8-5-4-7(9)11-12(8)3/h4-6H,1-3H3/p+1
InChIKeyMRWFGNMYQBIASK-UHFFFAOYSA-O
XLogP0.87
TPSA28.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Butylaminopyridazine
CID 62483243
6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
CID 19788525
6-Fluoro-2-methylpyridazin-2-ium-3-amine
CID 19788546
6-Fluoro-2-prop-2-enylpyridazin-2-ium-3-amine
CID 53979722
6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine
CID 54129986
2-[(6-Fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol
CID 54308525
6-[(3R,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine
CID 134405844
6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine
CID 134601121
N-tert-butyl-6-fluoropyridazin-3-amine
CID 138648701
6-hydrazinyl-N-propan-2-ylpyridazin-3-amine
CID 3043964
6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine
CID 88601872
N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine
CID 104854489

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine?
The IUPAC name of 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine (CID 54088032) is 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine is CC(C)Nc1ccc(F)n[n+]1C.
What is the InChIKey of 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine?
The InChIKey is MRWFGNMYQBIASK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12FN3/c1-6(2)10-8-5-4-7(9)11-12(8)3/h4-6H,1-3H3/p+1.
What are the key properties of 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine?
6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine has a molecular weight of 170.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine is sourced from PubChem (CID 54088032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).