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

C16H22N6O — CID 134801720

IUPACcyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESCc1nnc2ccc(N3CCN(C(=O)C4CCCC4)CC3)nn12
InChIInChI=1S/C16H22N6O/c1-12-17-18-14-6-7-15(19-22(12)14)20-8-10-21(11-9-20)16(23)13-4-2-3-5-13/h6-7,13H,2-5,8-11H2,1H3
InChIKeyKOYOFWMCDMLEON-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.27
Rot. Bonds2

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

cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (PubChem CID 134801720) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
PubChem CID134801720
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Namecyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESCc1nnc2ccc(N3CCN(C(=O)C4CCCC4)CC3)nn12
InChIInChI=1S/C16H22N6O/c1-12-17-18-14-6-7-15(19-22(12)14)20-8-10-21(11-9-20)16(23)13-4-2-3-5-13/h6-7,13H,2-5,8-11H2,1H3
InChIKeyKOYOFWMCDMLEON-UHFFFAOYSA-N
XLogP1.27
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (CID 134801720) is cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is Cc1nnc2ccc(N3CCN(C(=O)C4CCCC4)CC3)nn12.
What is the InChIKey of cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The InChIKey is KOYOFWMCDMLEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-17-18-14-6-7-15(19-22(12)14)20-8-10-21(11-9-20)16(23)13-4-2-3-5-13/h6-7,13H,2-5,8-11H2,1H3.
What are the key properties of cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134801720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).