6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C11H8ClN5 — CID 1476342

IUPAC6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESClc1ccc2nnc(Nc3ccccc3)n2n1
InChIInChI=1S/C11H8ClN5/c12-9-6-7-10-14-15-11(17(10)16-9)13-8-4-2-1-3-5-8/h1-7H,(H,13,15)
InChIKeyWZEPDOAGXYQXBK-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.52
Rot. Bonds2

About 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 1476342) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID1476342
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESClc1ccc2nnc(Nc3ccccc3)n2n1
InChIInChI=1S/C11H8ClN5/c12-9-6-7-10-14-15-11(17(10)16-9)13-8-4-2-1-3-5-8/h1-7H,(H,13,15)
InChIKeyWZEPDOAGXYQXBK-UHFFFAOYSA-N
XLogP2.52
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 1476342) is 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is Clc1ccc2nnc(Nc3ccccc3)n2n1.
What is the InChIKey of 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is WZEPDOAGXYQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-9-6-7-10-14-15-11(17(10)16-9)13-8-4-2-1-3-5-8/h1-7H,(H,13,15).
What are the key properties of 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 245.67 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 1476342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).