2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol

C7H11FN3O+ — CID 54308525

IUPAC2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol
SMILESC[n+]1nc(F)ccc1NCCO
InChIInChI=1S/C7H10FN3O/c1-11-7(9-4-5-12)3-2-6(8)10-11/h2-3,12H,4-5H2,1H3/p+1
InChIKeySJFXBFKBQFRAIX-UHFFFAOYSA-O
MW172.18 g/mol
LogP-0.55
Rot. Bonds3

About 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol

2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol (PubChem CID 54308525) has the molecular formula C7H11FN3O+ and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol
PubChem CID54308525
Molecular FormulaC7H11FN3O+
Molecular Weight172.18 g/mol
Exact Mass172.09
IUPAC Name2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol
SMILESC[n+]1nc(F)ccc1NCCO
InChIInChI=1S/C7H10FN3O/c1-11-7(9-4-5-12)3-2-6(8)10-11/h2-3,12H,4-5H2,1H3/p+1
InChIKeySJFXBFKBQFRAIX-UHFFFAOYSA-O
XLogP-0.55
TPSA49.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanol, 2-((3-hydrazino-6-pyridazinyl)amino)-, dihydrochloride
CID 47818
2-({6-[(2-Hydroxyethyl)amino]pyridazin-3-yl}amino)ethan-1-ol
CID 2800215
6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
CID 19788525
6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine
CID 54088032
2-[(6-Amino-3-pyridazinyl)amino]ethanol
CID 54170566
2-[(6-Hydrazinylpyridazin-3-yl)amino]ethanol
CID 47819
2-[(6-Hydrazinylpyridazin-3-yl)-methylamino]ethanol
CID 3043951
6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine
CID 88601872
1,1,1-Trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
CID 103702578
1,1-Difluoro-3-(pyridazin-3-ylamino)propan-2-ol
CID 103731306
3-[(6-Aminopyridazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105649487
3-[(6-Aminopyridazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 105649502

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol?
The IUPAC name of 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol (CID 54308525) is 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol?
The canonical SMILES for 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol is C[n+]1nc(F)ccc1NCCO.
What is the InChIKey of 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol?
The InChIKey is SJFXBFKBQFRAIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10FN3O/c1-11-7(9-4-5-12)3-2-6(8)10-11/h2-3,12H,4-5H2,1H3/p+1.
What are the key properties of 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol?
2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol has a molecular weight of 172.18 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol is sourced from PubChem (CID 54308525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).