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

C14H22N4O2 — CID 82443516

IUPAC6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
SMILESCn1nc(C(C)(C)C)cc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C14H22N4O2/c1-14(2,3)11-9-10(12(19)17(4)16-11)13(20)18-7-5-15-6-8-18/h9,15H,5-8H2,1-4H3
InChIKeyAPRLXGJZKJPTIP-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.12
Rot. Bonds1

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

6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one (PubChem CID 82443516) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
PubChem CID82443516
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
SMILESCn1nc(C(C)(C)C)cc(C(=O)N2CCNCC2)c1=O
InChIInChI=1S/C14H22N4O2/c1-14(2,3)11-9-10(12(19)17(4)16-11)13(20)18-7-5-15-6-8-18/h9,15H,5-8H2,1-4H3
InChIKeyAPRLXGJZKJPTIP-UHFFFAOYSA-N
XLogP0.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-ethyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443575
(3-tert-butyl-1-methylpyrazol-5-yl)-(1,4-diazepan-1-yl)methanone
CID 119417802
4-acetyl-6-tert-butyl-2-methylpyridazin-3-one
CID 82443546
6-tert-butyl-2-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82443550
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641
7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one
CID 171630766
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
6-tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
3-(4-methylphenyl)-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one
CID 82445447
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one (CID 82443516) is 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one is Cn1nc(C(C)(C)C)cc(C(=O)N2CCNCC2)c1=O.
What is the InChIKey of 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is APRLXGJZKJPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)11-9-10(12(19)17(4)16-11)13(20)18-7-5-15-6-8-18/h9,15H,5-8H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one?
6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 82443516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).