6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

C19H28N6O — CID 126914136

IUPAC6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CCN2CCN(Cc3cccnn3)CC2)n1
InChIInChI=1S/C19H28N6O/c1-19(2,3)17-6-7-18(26)25(22-17)14-13-23-9-11-24(12-10-23)15-16-5-4-8-20-21-16/h4-8H,9-15H2,1-3H3
InChIKeyXOBXAIRBJAESGD-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.15
Rot. Bonds5

About 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126914136) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126914136
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CCN2CCN(Cc3cccnn3)CC2)n1
InChIInChI=1S/C19H28N6O/c1-19(2,3)17-6-7-18(26)25(22-17)14-13-23-9-11-24(12-10-23)15-16-5-4-8-20-21-16/h4-8H,9-15H2,1-3H3
InChIKeyXOBXAIRBJAESGD-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-tert-butyl-2-[2-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914182
6-tert-butyl-2-[2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914087
3-[4-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperazin-1-yl]pyridazine-4-carbonitrile
CID 126914273
6-tert-butyl-2-[2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914140
6-tert-butyl-2-[2-[4-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914151
1-[2-[4-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperazin-1-yl]ethyl]azepan-2-one
CID 126914211
6-tert-butyl-2-[2-[4-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914150
6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914050
6-tert-butyl-2-[2-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913973
6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914181
6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913907
4-[2-[4-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126914209

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126914136) is 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CCN2CCN(Cc3cccnn3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is XOBXAIRBJAESGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-19(2,3)17-6-7-18(26)25(22-17)14-13-23-9-11-24(12-10-23)15-16-5-4-8-20-21-16/h4-8H,9-15H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 356.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126914136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).