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

C12H19N5O2 — CID 103757138

IUPAC6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCC(CCO)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H19N5O2/c1-2-3-9(6-7-18)8-13-10-4-5-11-14-15-12(19)17(11)16-10/h4-5,9,18H,2-3,6-8H2,1H3,(H,13,16)(H,15,19)
InChIKeyIVTVONUEYFZTGY-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.63
Rot. Bonds7

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

6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103757138) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103757138
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCCC(CCO)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H19N5O2/c1-2-3-9(6-7-18)8-13-10-4-5-11-14-15-12(19)17(11)16-10/h4-5,9,18H,2-3,6-8H2,1H3,(H,13,16)(H,15,19)
InChIKeyIVTVONUEYFZTGY-UHFFFAOYSA-N
XLogP0.63
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103757138) is 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCCC(CCO)CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is IVTVONUEYFZTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-3-9(6-7-18)8-13-10-4-5-11-14-15-12(19)17(11)16-10/h4-5,9,18H,2-3,6-8H2,1H3,(H,13,16)(H,15,19).
What are the key properties of 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 265.32 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethyl)pentylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103757138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).