[1,2,4]triazolo[4,3-b]pyridazine

C5H4N4 — CID 577392

IUPAC[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cnn2cnnc2c1
InChIInChI=1S/C5H4N4/c1-2-5-8-6-4-9(5)7-3-1/h1-4H
InChIKeyYRACHDVMKITFAZ-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.12
Rot. Bonds

About [1,2,4]triazolo[4,3-b]pyridazine

[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 577392) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID577392
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cnn2cnnc2c1
InChIInChI=1S/C5H4N4/c1-2-5-8-6-4-9(5)7-3-1/h1-4H
InChIKeyYRACHDVMKITFAZ-UHFFFAOYSA-N
XLogP0.12
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of [1,2,4]triazolo[4,3-b]pyridazine (CID 577392) is [1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for [1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for [1,2,4]triazolo[4,3-b]pyridazine is c1cnn2cnnc2c1.
What is the InChIKey of [1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YRACHDVMKITFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-2-5-8-6-4-9(5)7-3-1/h1-4H.
What are the key properties of [1,2,4]triazolo[4,3-b]pyridazine?
[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 120.11 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 577392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).