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

C12H17N5O2 — CID 66282272

IUPAC6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCCC3CCO)nn12
InChIInChI=1S/C12H17N5O2/c18-8-6-9-3-1-2-7-16(9)11-5-4-10-13-14-12(19)17(10)15-11/h4-5,9,18H,1-3,6-8H2,(H,14,19)
InChIKeyCRZSIKFSIPNESG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.16
Rot. Bonds3

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

6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282272) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282272
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCCC3CCO)nn12
InChIInChI=1S/C12H17N5O2/c18-8-6-9-3-1-2-7-16(9)11-5-4-10-13-14-12(19)17(10)15-11/h4-5,9,18H,1-3,6-8H2,(H,14,19)
InChIKeyCRZSIKFSIPNESG-UHFFFAOYSA-N
XLogP0.16
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[2-(aminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283446
6-[2-(bromomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80667736
6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281496
6-[2-(ethylaminomethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284428
6-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282853
7-[2-(hydroxymethyl)azepan-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 116636896
6-(3-bromopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80673252
6-[3-(aminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283978
6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102846663
2-[1-(6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 63586332
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 22425628

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282272) is 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CCCCC3CCO)nn12.
What is the InChIKey of 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CRZSIKFSIPNESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-8-6-9-3-1-2-7-16(9)11-5-4-10-13-14-12(19)17(10)15-11/h4-5,9,18H,1-3,6-8H2,(H,14,19).
What are the key properties of 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).