6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one

C15H24N4O2 — CID 82443575

IUPAC6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one
SMILESCCn1nc(C(C)(C)C)cc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C15H24N4O2/c1-5-19-14(21)11(10-12(17-19)15(2,3)4)13(20)18-8-6-16-7-9-18/h10,16H,5-9H2,1-4H3
InChIKeyWXMDZYCPBOJXDV-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.61
Rot. Bonds2

About 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one

6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one (PubChem CID 82443575) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one
PubChem CID82443575
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one
SMILESCCn1nc(C(C)(C)C)cc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C15H24N4O2/c1-5-19-14(21)11(10-12(17-19)15(2,3)4)13(20)18-8-6-16-7-9-18/h10,16H,5-9H2,1-4H3
InChIKeyWXMDZYCPBOJXDV-UHFFFAOYSA-N
XLogP0.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443516
(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone
CID 119417802
(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82509456
2-butyl-6-tert-butyl-3-oxopyridazine-4-carbonyl chloride
CID 82443711
1-ethyl-6-methyl-3-(piperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522057
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
3-(piperazine-1-carbonyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522532
(3-ethylimidazol-4-yl)-piperazin-1-ylmethanone
CID 83883937
5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862268
2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 82442699
3-(4-methylphenyl)-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one
CID 82445447
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one (CID 82443575) is 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one is CCn1nc(C(C)(C)C)cc(C(=O)N2CCNCC2)c1=O.
What is the InChIKey of 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is WXMDZYCPBOJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-19-14(21)11(10-12(17-19)15(2,3)4)13(20)18-8-6-16-7-9-18/h10,16H,5-9H2,1-4H3.
What are the key properties of 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one?
6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 82443575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).