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

C9H11N5O2 — CID 103755937

IUPAC6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CC[C@H](O)C3)nn12
InChIInChI=1S/C9H11N5O2/c15-6-3-4-13(5-6)8-2-1-7-10-11-9(16)14(7)12-8/h1-2,6,15H,3-5H2,(H,11,16)/t6-/m0/s1
InChIKeyOAPHYCMEOISRQA-LURJTMIESA-N
MW221.22 g/mol
LogP-1.01
Rot. Bonds1

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

6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103755937) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103755937
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CC[C@H](O)C3)nn12
InChIInChI=1S/C9H11N5O2/c15-6-3-4-13(5-6)8-2-1-7-10-11-9(16)14(7)12-8/h1-2,6,15H,3-5H2,(H,11,16)/t6-/m0/s1
InChIKeyOAPHYCMEOISRQA-LURJTMIESA-N
XLogP-1.01
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103755937) is 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CC[C@H](O)C3)nn12.
What is the InChIKey of 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is OAPHYCMEOISRQA-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N5O2/c15-6-3-4-13(5-6)8-2-1-7-10-11-9(16)14(7)12-8/h1-2,6,15H,3-5H2,(H,11,16)/t6-/m0/s1.
What are the key properties of 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 221.22 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103755937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).