3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine

C5H2Cl2N4 — CID 1482346

IUPAC3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(Cl)n2n1
InChIInChI=1S/C5H2Cl2N4/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H
InChIKeyYHVQNULRPMZYEO-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.43
Rot. Bonds

About 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine

3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1482346) has the molecular formula C5H2Cl2N4 and a molecular weight of 189.01 g/mol. Its IUPAC name is 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1482346
Molecular FormulaC5H2Cl2N4
Molecular Weight189.01 g/mol
Exact Mass187.97
IUPAC Name3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(Cl)n2n1
InChIInChI=1S/C5H2Cl2N4/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H
InChIKeyYHVQNULRPMZYEO-UHFFFAOYSA-N
XLogP1.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine (CID 1482346) is 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(Cl)n2n1.
What is the InChIKey of 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YHVQNULRPMZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H.
What are the key properties of 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine?
3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 189.01 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1482346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).