6-fluoro-2-methylpyridazin-2-ium-3-amine

C5H7FN3+ — CID 19788546

IUPAC6-fluoro-2-methylpyridazin-2-ium-3-amine
SMILESC[n+]1nc(F)ccc1N
InChIInChI=1S/C5H6FN3/c1-9-5(7)3-2-4(6)8-9/h2-3,7H,1H3/p+1
InChIKeyIPSXVYSXDDCSKH-UHFFFAOYSA-O
MW128.13 g/mol
LogP-0.37
Rot. Bonds

About 6-fluoro-2-methylpyridazin-2-ium-3-amine

6-fluoro-2-methylpyridazin-2-ium-3-amine (PubChem CID 19788546) has the molecular formula C5H7FN3+ and a molecular weight of 128.13 g/mol. Its IUPAC name is 6-fluoro-2-methylpyridazin-2-ium-3-amine.

Molecular Properties

Compound Name6-fluoro-2-methylpyridazin-2-ium-3-amine
PubChem CID19788546
Molecular FormulaC5H7FN3+
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name6-fluoro-2-methylpyridazin-2-ium-3-amine
SMILESC[n+]1nc(F)ccc1N
InChIInChI=1S/C5H6FN3/c1-9-5(7)3-2-4(6)8-9/h2-3,7H,1H3/p+1
InChIKeyIPSXVYSXDDCSKH-UHFFFAOYSA-O
XLogP-0.37
TPSA42.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.37
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

6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
CID 19788525
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
6-Fluoro-N,N-dimethylpyridazin-3-amine
CID 119089786
6-Fluoro-N-methylpyridazin-3-amine
CID 134691882
2-Methylpyridazin-2-ium-3-amine tetrafluoroborate
CID 19788480
2-Methylpyridazin-2-ium-3-amine
CID 19788481
6-Fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate
CID 19788545
3-N-methylpyridazine-3,6-diamine;hydrochloride
CID 20316811
3-N-methylpyridazine-3,6-diamine
CID 20316812
3-N,3-N-dimethylpyridazine-3,6-diamine;hydrochloride
CID 20316819

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylpyridazin-2-ium-3-amine?
The IUPAC name of 6-fluoro-2-methylpyridazin-2-ium-3-amine (CID 19788546) is 6-fluoro-2-methylpyridazin-2-ium-3-amine.
What is the SMILES notation for 6-fluoro-2-methylpyridazin-2-ium-3-amine?
The canonical SMILES for 6-fluoro-2-methylpyridazin-2-ium-3-amine is C[n+]1nc(F)ccc1N.
What is the InChIKey of 6-fluoro-2-methylpyridazin-2-ium-3-amine?
The InChIKey is IPSXVYSXDDCSKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6FN3/c1-9-5(7)3-2-4(6)8-9/h2-3,7H,1H3/p+1.
What are the key properties of 6-fluoro-2-methylpyridazin-2-ium-3-amine?
6-fluoro-2-methylpyridazin-2-ium-3-amine has a molecular weight of 128.13 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylpyridazin-2-ium-3-amine is sourced from PubChem (CID 19788546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).