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

C15H20N6O — CID 126913367

IUPAC2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(N2CCN(CCn3ncccc3=O)CC2)nn1
InChIInChI=1S/C15H20N6O/c1-13-4-5-14(18-17-13)20-10-7-19(8-11-20)9-12-21-15(22)3-2-6-16-21/h2-6H,7-12H2,1H3
InChIKeyCUUASSGGUYGOTB-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.16
Rot. Bonds4

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

2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913367) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913367
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(N2CCN(CCn3ncccc3=O)CC2)nn1
InChIInChI=1S/C15H20N6O/c1-13-4-5-14(18-17-13)20-10-7-19(8-11-20)9-12-21-15(22)3-2-6-16-21/h2-6H,7-12H2,1H3
InChIKeyCUUASSGGUYGOTB-UHFFFAOYSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913420
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576
2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913484
1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 121118653
2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913470
2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913536
2-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916186
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913460
2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 55218602
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913367) is 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(N2CCN(CCn3ncccc3=O)CC2)nn1.
What is the InChIKey of 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is CUUASSGGUYGOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-13-4-5-14(18-17-13)20-10-7-19(8-11-20)9-12-21-15(22)3-2-6-16-21/h2-6H,7-12H2,1H3.
What are the key properties of 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 300.37 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).