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

C10H13N5O — CID 21494301

IUPAC6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C10H13N5O/c16-10-12-11-8-4-5-9(13-15(8)10)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2,(H,12,16)
InChIKeyUREAITLUYGVTPN-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.41
Rot. Bonds1

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

6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 21494301) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID21494301
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C10H13N5O/c16-10-12-11-8-4-5-9(13-15(8)10)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2,(H,12,16)
InChIKeyUREAITLUYGVTPN-UHFFFAOYSA-N
XLogP0.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 21494301) is 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CCCCC3)nn12.
What is the InChIKey of 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is UREAITLUYGVTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-10-12-11-8-4-5-9(13-15(8)10)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2,(H,12,16).
What are the key properties of 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 219.25 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 21494301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).