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

C11H15N5O2 — CID 114796399

IUPAC6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(OCCC3CCNC3)nn12
InChIInChI=1S/C11H15N5O2/c17-11-14-13-9-1-2-10(15-16(9)11)18-6-4-8-3-5-12-7-8/h1-2,8,12H,3-7H2,(H,14,17)
InChIKeySMSUUJAULKNXET-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.20
Rot. Bonds4

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

6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 114796399) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID114796399
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(OCCC3CCNC3)nn12
InChIInChI=1S/C11H15N5O2/c17-11-14-13-9-1-2-10(15-16(9)11)18-6-4-8-3-5-12-7-8/h1-2,8,12H,3-7H2,(H,14,17)
InChIKeySMSUUJAULKNXET-UHFFFAOYSA-N
XLogP-0.20
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796308
6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione
CID 114796594
4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
CID 114270201
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine
CID 118498951
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
CID 114796570
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
3,6-dichloro-4-(2-pyrrolidin-3-ylethoxy)pyridazine
CID 114796380
3-[2-(4-methylsulfonylphenoxy)ethyl]pyrrolidine
CID 114796528

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 114796399) is 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(OCCC3CCNC3)nn12.
What is the InChIKey of 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SMSUUJAULKNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-11-14-13-9-1-2-10(15-16(9)11)18-6-4-8-3-5-12-7-8/h1-2,8,12H,3-7H2,(H,14,17).
What are the key properties of 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 114796399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).