6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

C17H24N6O — CID 126913735

IUPAC6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3ccnc(C)n3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-14-3-4-17(24)23(20-14)12-11-21-7-9-22(10-8-21)13-16-5-6-18-15(2)19-16/h3-6H,7-13H2,1-2H3
InChIKeyXKSZNDWMXFJKOE-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.47
Rot. Bonds5

About 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913735) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913735
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3ccnc(C)n3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-14-3-4-17(24)23(20-14)12-11-21-7-9-22(10-8-21)13-16-5-6-18-15(2)19-16/h3-6H,7-13H2,1-2H3
InChIKeyXKSZNDWMXFJKOE-UHFFFAOYSA-N
XLogP0.47
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916471
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913663
2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one
CID 126913839
6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913810
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915649
1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899404
6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914136
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916451
6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913796
6-tert-butyl-2-[2-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914182

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913735) is 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(Cc3ccnc(C)n3)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is XKSZNDWMXFJKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14-3-4-17(24)23(20-14)12-11-21-7-9-22(10-8-21)13-16-5-6-18-15(2)19-16/h3-6H,7-13H2,1-2H3.
What are the key properties of 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 328.42 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).