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

C11H15N5O2 — CID 102787372

IUPAC6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CCN(c2ccc3n[nH]c(=O)n3n2)C1CO
InChIInChI=1S/C11H15N5O2/c1-7-4-5-15(8(7)6-17)10-3-2-9-12-13-11(18)16(9)14-10/h2-3,7-8,17H,4-6H2,1H3,(H,13,18)
InChIKeyCVKQXZDTHMTLPA-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.38
Rot. Bonds2

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

6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 102787372) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID102787372
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CCN(c2ccc3n[nH]c(=O)n3n2)C1CO
InChIInChI=1S/C11H15N5O2/c1-7-4-5-15(8(7)6-17)10-3-2-9-12-13-11(18)16(9)14-10/h2-3,7-8,17H,4-6H2,1H3,(H,13,18)
InChIKeyCVKQXZDTHMTLPA-UHFFFAOYSA-N
XLogP-0.38
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 102787372) is 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC1CCN(c2ccc3n[nH]c(=O)n3n2)C1CO.
What is the InChIKey of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CVKQXZDTHMTLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-4-5-15(8(7)6-17)10-3-2-9-12-13-11(18)16(9)14-10/h2-3,7-8,17H,4-6H2,1H3,(H,13,18).
What are the key properties of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 102787372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).