2-methylpyridazin-2-ium-3-amine

C5H8N3+ — CID 19788481

IUPAC2-methylpyridazin-2-ium-3-amine
SMILESC[n+]1ncccc1N
InChIInChI=1S/C5H7N3/c1-8-5(6)3-2-4-7-8/h2-4,6H,1H3/p+1
InChIKeyVPMRTGYNTVSJFO-UHFFFAOYSA-O
MW110.14 g/mol
LogP-0.51
Rot. Bonds

About 2-methylpyridazin-2-ium-3-amine

2-methylpyridazin-2-ium-3-amine (PubChem CID 19788481) has the molecular formula C5H8N3+ and a molecular weight of 110.14 g/mol. Its IUPAC name is 2-methylpyridazin-2-ium-3-amine.

Molecular Properties

Compound Name2-methylpyridazin-2-ium-3-amine
PubChem CID19788481
Molecular FormulaC5H8N3+
Molecular Weight110.14 g/mol
Exact Mass110.07
IUPAC Name2-methylpyridazin-2-ium-3-amine
SMILESC[n+]1ncccc1N
InChIInChI=1S/C5H7N3/c1-8-5(6)3-2-4-7-8/h2-4,6H,1H3/p+1
InChIKeyVPMRTGYNTVSJFO-UHFFFAOYSA-O
XLogP-0.51
TPSA42.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 5-0.51
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

Aminopyridazine
CID 230373
2-Pyridazin-3-ylguanidine
CID 17761726
N-methylpyridazin-3-amine
CID 19831906
N1-(pyridazin-3-yl)ethane-1,2-diamine
CID 22118660
N-Cyclopropylpyridazin-3-amine
CID 62482225
N1-(pyridazin-3-yl)ethane-1,2-diamine dihydrochloride
CID 121209039
N-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
CID 19788525
6-Fluoro-2-methylpyridazin-2-ium-3-amine
CID 19788546
6-Fluoro-2-prop-2-enylpyridazin-2-ium-3-amine
CID 53979722
N,N-dimethylpyridazin-3-amine
CID 15154481

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridazin-2-ium-3-amine?
The IUPAC name of 2-methylpyridazin-2-ium-3-amine (CID 19788481) is 2-methylpyridazin-2-ium-3-amine.
What is the SMILES notation for 2-methylpyridazin-2-ium-3-amine?
The canonical SMILES for 2-methylpyridazin-2-ium-3-amine is C[n+]1ncccc1N.
What is the InChIKey of 2-methylpyridazin-2-ium-3-amine?
The InChIKey is VPMRTGYNTVSJFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N3/c1-8-5(6)3-2-4-7-8/h2-4,6H,1H3/p+1.
What are the key properties of 2-methylpyridazin-2-ium-3-amine?
2-methylpyridazin-2-ium-3-amine has a molecular weight of 110.14 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridazin-2-ium-3-amine is sourced from PubChem (CID 19788481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).