3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium

C5H5N4+ — CID 21241324

IUPAC3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium
SMILESc1cn[n+]2[nH]cnc2c1
InChIInChI=1S/C5H4N4/c1-2-5-6-4-8-9(5)7-3-1/h1-4H/p+1
InChIKeyILKSBSWZWUODQX-UHFFFAOYSA-O
MW121.12 g/mol
LogP-0.46
Rot. Bonds

About 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium

3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium (PubChem CID 21241324) has the molecular formula C5H5N4+ and a molecular weight of 121.12 g/mol. Its IUPAC name is 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium.

Molecular Properties

Compound Name3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium
PubChem CID21241324
Molecular FormulaC5H5N4+
Molecular Weight121.12 g/mol
Exact Mass121.05
IUPAC Name3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium
SMILESc1cn[n+]2[nH]cnc2c1
InChIInChI=1S/C5H4N4/c1-2-5-6-4-8-9(5)7-3-1/h1-4H/p+1
InChIKeyILKSBSWZWUODQX-UHFFFAOYSA-O
XLogP-0.46
TPSA45.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.12
LogP ≤ 5-0.46
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

{[1,2,4]Triazolo[4,3-b]pyridazin-6-yl}hydrazine
CID 4264519
Imidazo(1,2-b)pyridazine
CID 136599
(Imidazo(1,2-b)pyridazin-6-yl)hydrazine
CID 322295
[1,2,4]Triazolo[4,3-b]pyridazin-3-amine
CID 55289232
[1,2,4]Triazolo[1,5-b]pyridazine
CID 12212523
Imidazo[1,2-b]pyridazin-6-amine
CID 10534704
3-Bromo-[1,2,4]triazolo[4,3-b]pyridazine
CID 15584110
Imidazo[1,2-b]pyridazin-3-amine hydrochloride
CID 73554420
1-{[1,2,4]Triazolo[4,3-b]pyridazin-3-yl}methanamine
CID 75355624
N-butyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 53017570
N-propyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 53017567
1,2,4-Triazolo(4,3-b)pyridazine
CID 577392

Frequently Asked Questions

What is the IUPAC name of 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium?
The IUPAC name of 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium (CID 21241324) is 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium.
What is the SMILES notation for 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium?
The canonical SMILES for 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium is c1cn[n+]2[nH]cnc2c1.
What is the InChIKey of 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium?
The InChIKey is ILKSBSWZWUODQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H4N4/c1-2-5-6-4-8-9(5)7-3-1/h1-4H/p+1.
What are the key properties of 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium?
3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium has a molecular weight of 121.12 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,2,4]triazolo[1,5-b]pyridazin-4-ium is sourced from PubChem (CID 21241324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).