6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine

C8H13FN3O+ — CID 88601872

IUPAC6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine
SMILESCOCCNc1ccc(F)n[n+]1C
InChIInChI=1S/C8H12FN3O/c1-12-8(10-5-6-13-2)4-3-7(9)11-12/h3-4H,5-6H2,1-2H3/p+1
InChIKeyQHENKRMZLNQLNZ-UHFFFAOYSA-O
MW186.21 g/mol
LogP0.10
Rot. Bonds4

About 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine

6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine (PubChem CID 88601872) has the molecular formula C8H13FN3O+ and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine
PubChem CID88601872
Molecular FormulaC8H13FN3O+
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine
SMILESCOCCNc1ccc(F)n[n+]1C
InChIInChI=1S/C8H12FN3O/c1-12-8(10-5-6-13-2)4-3-7(9)11-12/h3-4H,5-6H2,1-2H3/p+1
InChIKeyQHENKRMZLNQLNZ-UHFFFAOYSA-O
XLogP0.10
TPSA38.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine?
The IUPAC name of 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine (CID 88601872) is 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine.
What is the SMILES notation for 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine?
The canonical SMILES for 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine is COCCNc1ccc(F)n[n+]1C.
What is the InChIKey of 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine?
The InChIKey is QHENKRMZLNQLNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12FN3O/c1-12-8(10-5-6-13-2)4-3-7(9)11-12/h3-4H,5-6H2,1-2H3/p+1.
What are the key properties of 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine?
6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine has a molecular weight of 186.21 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine is sourced from PubChem (CID 88601872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).