N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide

C15H25N5O2 — CID 72876171

IUPACN-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)NC(C)(C)C)n1ncc(N2CCNCC2)cc1=O
InChIInChI=1S/C15H25N5O2/c1-11(14(22)18-15(2,3)4)20-13(21)9-12(10-17-20)19-7-5-16-6-8-19/h9-11,16H,5-8H2,1-4H3,(H,18,22)
InChIKeyIZKXMXKJOQIFMM-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.13
Rot. Bonds3

About N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide

N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide (PubChem CID 72876171) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide
PubChem CID72876171
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)NC(C)(C)C)n1ncc(N2CCNCC2)cc1=O
InChIInChI=1S/C15H25N5O2/c1-11(14(22)18-15(2,3)4)20-13(21)9-12(10-17-20)19-7-5-16-6-8-19/h9-11,16H,5-8H2,1-4H3,(H,18,22)
InChIKeyIZKXMXKJOQIFMM-UHFFFAOYSA-N
XLogP0.13
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924039
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924062
N-[1-(1-ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]-2,2-dimethylpropanamide
CID 91924064
2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876539
2,2-dimethyl-N-[1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876541
3-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876543
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide (CID 72876171) is N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide is CC(C(=O)NC(C)(C)C)n1ncc(N2CCNCC2)cc1=O.
What is the InChIKey of N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide?
The InChIKey is IZKXMXKJOQIFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(14(22)18-15(2,3)4)20-13(21)9-12(10-17-20)19-7-5-16-6-8-19/h9-11,16H,5-8H2,1-4H3,(H,18,22).
What are the key properties of N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide?
N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide has a molecular weight of 307.40 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 72876171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).