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

C10H13N5O2 — CID 103868241

IUPAC6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1(O)CCN(c2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C10H13N5O2/c1-10(17)4-5-14(6-10)8-3-2-7-11-12-9(16)15(7)13-8/h2-3,17H,4-6H2,1H3,(H,12,16)
InChIKeyMIUZSVVZNMSUMA-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.62
Rot. Bonds1

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

6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103868241) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103868241
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1(O)CCN(c2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C10H13N5O2/c1-10(17)4-5-14(6-10)8-3-2-7-11-12-9(16)15(7)13-8/h2-3,17H,4-6H2,1H3,(H,12,16)
InChIKeyMIUZSVVZNMSUMA-UHFFFAOYSA-N
XLogP-0.62
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
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

Analyze 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-(4-hydroxy-4-methylazepan-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 107407320
1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide
CID 66284380
6-(3-bromopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80673252
6-[4-(propylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66268796
6-[3-(aminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283978
7-(4-hydroxy-4-methylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 81115518
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282455
6-[(4,4-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283615
3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 133410717
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281485
6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282272

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103868241) is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC1(O)CCN(c2ccc3n[nH]c(=O)n3n2)C1.
What is the InChIKey of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is MIUZSVVZNMSUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-10(17)4-5-14(6-10)8-3-2-7-11-12-9(16)15(7)13-8/h2-3,17H,4-6H2,1H3,(H,12,16).
What are the key properties of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-hydroxy-3-methylpyrrolidin-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, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103868241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).