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

C10H13N5O2 — CID 66282466

IUPAC6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCC3CO)nn12
InChIInChI=1S/C10H13N5O2/c16-6-7-2-1-5-14(7)9-4-3-8-11-12-10(17)15(8)13-9/h3-4,7,16H,1-2,5-6H2,(H,12,17)
InChIKeyWPBDWYFKOVAUTF-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.62
Rot. Bonds2

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

6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282466) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282466
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCC3CO)nn12
InChIInChI=1S/C10H13N5O2/c16-6-7-2-1-5-14(7)9-4-3-8-11-12-10(17)15(8)13-9/h3-4,7,16H,1-2,5-6H2,(H,12,17)
InChIKeyWPBDWYFKOVAUTF-UHFFFAOYSA-N
XLogP-0.62
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281957
6-[2-(hydroxymethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282076
7-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282402
6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282851
6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282852
6-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282853
6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283241
6-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283242
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284224
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102787372
6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103755937
6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103755938

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282466) is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CCCC3CO)nn12.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is WPBDWYFKOVAUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-6-7-2-1-5-14(7)9-4-3-8-11-12-10(17)15(8)13-9/h3-4,7,16H,1-2,5-6H2,(H,12,17).
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 235.25 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).