6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C16H22N6O — CID 126913810

IUPAC6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cnc(N2CCN(CCn3nc(C)ccc3=O)CC2)nc1
InChIInChI=1S/C16H22N6O/c1-13-11-17-16(18-12-13)21-8-5-20(6-9-21)7-10-22-15(23)4-3-14(2)19-22/h3-4,11-12H,5-10H2,1-2H3
InChIKeyBQKPUEJDUHLYBZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.47
Rot. Bonds4

About 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913810) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913810
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cnc(N2CCN(CCn3nc(C)ccc3=O)CC2)nc1
InChIInChI=1S/C16H22N6O/c1-13-11-17-16(18-12-13)21-8-5-20(6-9-21)7-10-22-15(23)4-3-14(2)19-22/h3-4,11-12H,5-10H2,1-2H3
InChIKeyBQKPUEJDUHLYBZ-UHFFFAOYSA-N
XLogP0.47
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916533
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one
CID 126913839
6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913735
6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913796
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
6-methyl-2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913805
2-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916132
6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913663
4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 126913608
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
6-methyl-2-propylpyridazin-3-one
CID 12504076

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913810) is 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1cnc(N2CCN(CCn3nc(C)ccc3=O)CC2)nc1.
What is the InChIKey of 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is BQKPUEJDUHLYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13-11-17-16(18-12-13)21-8-5-20(6-9-21)7-10-22-15(23)4-3-14(2)19-22/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 314.39 g/mol, XLogP of 0.47, 4 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-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).