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

C17H18N6O — CID 134803124

IUPAC1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C17H18N6O/c1-13(24)21-9-11-22(12-10-21)16-8-7-15-18-19-17(23(15)20-16)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyXLQORNPRMAEDSP-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.46
Rot. Bonds2

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

1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone (PubChem CID 134803124) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
PubChem CID134803124
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C17H18N6O/c1-13(24)21-9-11-22(12-10-21)16-8-7-15-18-19-17(23(15)20-16)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyXLQORNPRMAEDSP-UHFFFAOYSA-N
XLogP1.46
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone (CID 134803124) is 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.
What is the InChIKey of 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone?
The InChIKey is XLQORNPRMAEDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-13(24)21-9-11-22(12-10-21)16-8-7-15-18-19-17(23(15)20-16)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3.
What are the key properties of 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone?
1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134803124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).