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

C20H24N6O2 — CID 11036286

IUPAC6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCn2nc(-n3ccnc3)ccc2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-28-18-5-3-2-4-17(18)24-13-10-23(11-14-24)12-15-26-20(27)7-6-19(22-26)25-9-8-21-16-25/h2-9,16H,10-15H2,1H3
InChIKeyKYMFEYFMWCGDFD-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.26
Rot. Bonds6

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

6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 11036286) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID11036286
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCn2nc(-n3ccnc3)ccc2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-28-18-5-3-2-4-17(18)24-13-10-23(11-14-24)12-15-26-20(27)7-6-19(22-26)25-9-8-21-16-25/h2-9,16H,10-15H2,1H3
InChIKeyKYMFEYFMWCGDFD-UHFFFAOYSA-N
XLogP1.26
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 11036286) is 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one is COc1ccccc1N1CCN(CCn2nc(-n3ccnc3)ccc2=O)CC1.
What is the InChIKey of 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is KYMFEYFMWCGDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-28-18-5-3-2-4-17(18)24-13-10-23(11-14-24)12-15-26-20(27)7-6-19(22-26)25-9-8-21-16-25/h2-9,16H,10-15H2,1H3.
What are the key properties of 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 380.45 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 11036286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).