piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone

C15H21N7O — CID 119879754

IUPACpiperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCNC1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C15H21N7O/c23-15(12-2-1-5-16-10-12)21-8-6-20(7-9-21)14-4-3-13-18-17-11-22(13)19-14/h3-4,11-12,16H,1-2,5-10H2
InChIKeyMLAGWFMUUBDGTB-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.23
Rot. Bonds2

About piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone

piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (PubChem CID 119879754) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
PubChem CID119879754
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Namepiperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCNC1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C15H21N7O/c23-15(12-2-1-5-16-10-12)21-8-6-20(7-9-21)14-4-3-13-18-17-11-22(13)19-14/h3-4,11-12,16H,1-2,5-10H2
InChIKeyMLAGWFMUUBDGTB-UHFFFAOYSA-N
XLogP-0.23
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (CID 119879754) is piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is O=C(C1CCCNC1)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The InChIKey is MLAGWFMUUBDGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c23-15(12-2-1-5-16-10-12)21-8-6-20(7-9-21)14-4-3-13-18-17-11-22(13)19-14/h3-4,11-12,16H,1-2,5-10H2.
What are the key properties of piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119879754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).