2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one

C20H30N6O — CID 126937509

IUPAC2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(NCC2CCCCN2CCn2ncccc2=O)nn1
InChIInChI=1S/C20H30N6O/c1-20(2,3)17-9-10-18(24-23-17)21-15-16-7-4-5-12-25(16)13-14-26-19(27)8-6-11-22-26/h6,8-11,16H,4-5,7,12-15H2,1-3H3,(H,21,24)
InChIKeyRWJZITADEYWKAR-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one

2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126937509) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID126937509
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(NCC2CCCCN2CCn2ncccc2=O)nn1
InChIInChI=1S/C20H30N6O/c1-20(2,3)17-9-10-18(24-23-17)21-15-16-7-4-5-12-25(16)13-14-26-19(27)8-6-11-22-26/h6,8-11,16H,4-5,7,12-15H2,1-3H3,(H,21,24)
InChIKeyRWJZITADEYWKAR-UHFFFAOYSA-N
XLogP2.30
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937711
6-tert-butyl-2-[2-[2-[[(6-methylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937882
3-methyl-6-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrimidin-4-one
CID 126937568
2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937517
6-tert-butyl-2-[2-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937892
3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126937584
6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937891
2-[2-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938273
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126937456
2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 126937867
6-tert-butyl-2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937906
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 126937418

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one (CID 126937509) is 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one is CC(C)(C)c1ccc(NCC2CCCCN2CCn2ncccc2=O)nn1.
What is the InChIKey of 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is RWJZITADEYWKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-20(2,3)17-9-10-18(24-23-17)21-15-16-7-4-5-12-25(16)13-14-26-19(27)8-6-11-22-26/h6,8-11,16H,4-5,7,12-15H2,1-3H3,(H,21,24).
What are the key properties of 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 370.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126937509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).