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

C14H20N6O — CID 66281480

IUPAC6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCCC3C3CCCN3)nn12
InChIInChI=1S/C14H20N6O/c21-14-17-16-12-6-7-13(18-20(12)14)19-9-2-1-5-11(19)10-4-3-8-15-10/h6-7,10-11,15H,1-5,8-9H2,(H,17,21)
InChIKeyBNNOYVNTVPCDAQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.53
Rot. Bonds2

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

6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281480) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281480
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCCC3C3CCCN3)nn12
InChIInChI=1S/C14H20N6O/c21-14-17-16-12-6-7-13(18-20(12)14)19-9-2-1-5-11(19)10-4-3-8-15-10/h6-7,10-11,15H,1-5,8-9H2,(H,17,21)
InChIKeyBNNOYVNTVPCDAQ-UHFFFAOYSA-N
XLogP0.53
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281480) is 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CCCCC3C3CCCN3)nn12.
What is the InChIKey of 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is BNNOYVNTVPCDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c21-14-17-16-12-6-7-13(18-20(12)14)19-9-2-1-5-11(19)10-4-3-8-15-10/h6-7,10-11,15H,1-5,8-9H2,(H,17,21).
What are the key properties of 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-2-ylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).