6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine

C10H11FN3S+ — CID 19788617

IUPAC6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine
SMILESC[n+]1nc(F)ccc1NCc1cccs1
InChIInChI=1S/C10H10FN3S/c1-14-10(5-4-9(11)13-14)12-7-8-3-2-6-15-8/h2-6H,7H2,1H3/p+1
InChIKeyYKBWHLGRLPOYIB-UHFFFAOYSA-O
MW224.28 g/mol
LogP1.72
Rot. Bonds3

About 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine

6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine (PubChem CID 19788617) has the molecular formula C10H11FN3S+ and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine
PubChem CID19788617
Molecular FormulaC10H11FN3S+
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine
SMILESC[n+]1nc(F)ccc1NCc1cccs1
InChIInChI=1S/C10H10FN3S/c1-14-10(5-4-9(11)13-14)12-7-8-3-2-6-15-8/h2-6H,7H2,1H3/p+1
InChIKeyYKBWHLGRLPOYIB-UHFFFAOYSA-O
XLogP1.72
TPSA28.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine?
The IUPAC name of 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine (CID 19788617) is 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine is C[n+]1nc(F)ccc1NCc1cccs1.
What is the InChIKey of 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine?
The InChIKey is YKBWHLGRLPOYIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10FN3S/c1-14-10(5-4-9(11)13-14)12-7-8-3-2-6-15-8/h2-6H,7H2,1H3/p+1.
What are the key properties of 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine?
6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine has a molecular weight of 224.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-(thiophen-2-ylmethyl)pyridazin-2-ium-3-amine is sourced from PubChem (CID 19788617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).