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

C9H13N5O2 — CID 21494313

IUPAC6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(O)CCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H13N5O2/c1-6(15)4-5-10-7-2-3-8-11-12-9(16)14(8)13-7/h2-3,6,15H,4-5H2,1H3,(H,10,13)(H,12,16)
InChIKeyPOTKQVKWAWBNPL-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.40
Rot. Bonds4

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

6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 21494313) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID21494313
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(O)CCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H13N5O2/c1-6(15)4-5-10-7-2-3-8-11-12-9(16)14(8)13-7/h2-3,6,15H,4-5H2,1H3,(H,10,13)(H,12,16)
InChIKeyPOTKQVKWAWBNPL-UHFFFAOYSA-N
XLogP-0.40
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 21494313) is 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC(O)CCNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is POTKQVKWAWBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-6(15)4-5-10-7-2-3-8-11-12-9(16)14(8)13-7/h2-3,6,15H,4-5H2,1H3,(H,10,13)(H,12,16).
What are the key properties of 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 223.24 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 21494313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).