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

C7H11FN3+ — CID 54129986

IUPAC6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine
SMILESCN(C)c1ccc(F)n[n+]1C
InChIInChI=1S/C7H11FN3/c1-10(2)7-5-4-6(8)9-11(7)3/h4-5H,1-3H3/q+1
InChIKeyNTQZRKQYLUKYNS-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.11
Rot. Bonds1

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

6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine (PubChem CID 54129986) has the molecular formula C7H11FN3+ and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine.

Molecular Properties

Compound Name6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine
PubChem CID54129986
Molecular FormulaC7H11FN3+
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine
SMILESCN(C)c1ccc(F)n[n+]1C
InChIInChI=1S/C7H11FN3/c1-10(2)7-5-4-6(8)9-11(7)3/h4-5H,1-3H3/q+1
InChIKeyNTQZRKQYLUKYNS-UHFFFAOYSA-N
XLogP0.11
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyridazine, 3,6-bis(dimethylamino)-
CID 99389
6-Iodo-N,N-dimethyl-3-pyridazinamine
CID 10422153
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-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine
CID 54088032
N'-(6-fluoropyridazin-3-yl)-N,N-dimethylmethanimidamide
CID 141437122
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
6-Fluoro-N-methylpyridazin-3-amine
CID 134691882
N-(2,2-dimethylpropyl)-6-fluoro-N-methylpyridazin-3-amine
CID 145908253

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine?
The IUPAC name of 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine (CID 54129986) is 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine.
What is the SMILES notation for 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine?
The canonical SMILES for 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine is CN(C)c1ccc(F)n[n+]1C.
What is the InChIKey of 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine?
The InChIKey is NTQZRKQYLUKYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN3/c1-10(2)7-5-4-6(8)9-11(7)3/h4-5H,1-3H3/q+1.
What are the key properties of 6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine?
6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine has a molecular weight of 156.18 g/mol, XLogP of 0.11, 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 is sourced from PubChem (CID 54129986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).