6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine

C8H11FN3+ — CID 19788525

IUPAC6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
SMILESC=CCNc1ccc(F)n[n+]1C
InChIInChI=1S/C8H10FN3/c1-3-6-10-8-5-4-7(9)11-12(8)2/h3-5H,1,6H2,2H3/p+1
InChIKeyKSSJOTVKIIFPJA-UHFFFAOYSA-O
MW168.19 g/mol
LogP0.64
Rot. Bonds3

About 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine

6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine (PubChem CID 19788525) has the molecular formula C8H11FN3+ and a molecular weight of 168.19 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
PubChem CID19788525
Molecular FormulaC8H11FN3+
Molecular Weight168.19 g/mol
Exact Mass168.09
IUPAC Name6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
SMILESC=CCNc1ccc(F)n[n+]1C
InChIInChI=1S/C8H10FN3/c1-3-6-10-8-5-4-7(9)11-12(8)2/h3-5H,1,6H2,2H3/p+1
InChIKeyKSSJOTVKIIFPJA-UHFFFAOYSA-O
XLogP0.64
TPSA28.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine
CID 54088032
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-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-amine
CID 138578251
N-tert-butyl-6-fluoropyridazin-3-amine
CID 138648701
N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62481008
N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 63226885
N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 79040501

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine?
The IUPAC name of 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine (CID 19788525) is 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine is C=CCNc1ccc(F)n[n+]1C.
What is the InChIKey of 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine?
The InChIKey is KSSJOTVKIIFPJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10FN3/c1-3-6-10-8-5-4-7(9)11-12(8)2/h3-5H,1,6H2,2H3/p+1.
What are the key properties of 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine?
6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine has a molecular weight of 168.19 g/mol, XLogP of 0.64, 3 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-prop-2-enylpyridazin-2-ium-3-amine is sourced from PubChem (CID 19788525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).