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

C10H15N5O2 — CID 66281648

IUPAC6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOCCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N5O2/c1-2-17-7-3-6-11-8-4-5-9-12-13-10(16)15(9)14-8/h4-5H,2-3,6-7H2,1H3,(H,11,14)(H,13,16)
InChIKeyJYWYWEYQLVSNAE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.26
Rot. Bonds6

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

6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281648) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281648
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOCCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N5O2/c1-2-17-7-3-6-11-8-4-5-9-12-13-10(16)15(9)14-8/h4-5H,2-3,6-7H2,1H3,(H,11,14)(H,13,16)
InChIKeyJYWYWEYQLVSNAE-UHFFFAOYSA-N
XLogP0.26
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281648) is 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCOCCCNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is JYWYWEYQLVSNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-17-7-3-6-11-8-4-5-9-12-13-10(16)15(9)14-8/h4-5H,2-3,6-7H2,1H3,(H,11,14)(H,13,16).
What are the key properties of 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 237.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).