6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C10H13ClN4O — CID 66281503

IUPAC6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCC(Cl)Cc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H13ClN4O/c1-2-3-7(11)6-8-4-5-9-12-13-10(16)15(9)14-8/h4-5,7H,2-3,6H2,1H3,(H,13,16)
InChIKeyHSBPRNMBNNJUBG-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.37
Rot. Bonds4

About 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281503) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281503
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCC(Cl)Cc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H13ClN4O/c1-2-3-7(11)6-8-4-5-9-12-13-10(16)15(9)14-8/h4-5,7H,2-3,6H2,1H3,(H,13,16)
InChIKeyHSBPRNMBNNJUBG-UHFFFAOYSA-N
XLogP1.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281503) is 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCCC(Cl)Cc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is HSBPRNMBNNJUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-2-3-7(11)6-8-4-5-9-12-13-10(16)15(9)14-8/h4-5,7H,2-3,6H2,1H3,(H,13,16).
What are the key properties of 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 240.69 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloropentyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).