2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H7ClN4O — CID 142685828

IUPAC2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1n(-c2ccc(Cl)cc2)nc2cccnn12
InChIInChI=1S/C11H7ClN4O/c12-8-3-5-9(6-4-8)15-11(17)16-10(14-15)2-1-7-13-16/h1-7H
InChIKeyDHKQECURCMSXQW-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.53
Rot. Bonds1

About 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one

2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 142685828) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID142685828
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1n(-c2ccc(Cl)cc2)nc2cccnn12
InChIInChI=1S/C11H7ClN4O/c12-8-3-5-9(6-4-8)15-11(17)16-10(14-15)2-1-7-13-16/h1-7H
InChIKeyDHKQECURCMSXQW-UHFFFAOYSA-N
XLogP1.53
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 142685828) is 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1n(-c2ccc(Cl)cc2)nc2cccnn12.
What is the InChIKey of 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is DHKQECURCMSXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-8-3-5-9(6-4-8)15-11(17)16-10(14-15)2-1-7-13-16/h1-7H.
What are the key properties of 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 246.66 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 142685828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).