5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one

C18H23N4O3+ — CID 8554639

IUPAC5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C18H22N4O3/c1-13-6-4-5-7-14(13)22-16(23)12-15(25-3)17(19-22)18(24)21-10-8-20(2)9-11-21/h4-7,12H,8-11H2,1-3H3/p+1
InChIKeyZTSASTIZWPNVKV-UHFFFAOYSA-O
MW343.41 g/mol
LogP-0.48
Rot. Bonds3

About 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one

5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one (PubChem CID 8554639) has the molecular formula C18H23N4O3+ and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one
PubChem CID8554639
Molecular FormulaC18H23N4O3+
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C18H22N4O3/c1-13-6-4-5-7-14(13)22-16(23)12-15(25-3)17(19-22)18(24)21-10-8-20(2)9-11-21/h4-7,12H,8-11H2,1-3H3/p+1
InChIKeyZTSASTIZWPNVKV-UHFFFAOYSA-O
XLogP-0.48
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
CID 40693658
4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
CID 142773071
5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 18568903
N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794
N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554755
N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555401
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 8554482
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8555016
4-methoxy-1-(2-methylphenyl)-N-(4-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 8554825
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233
dimethyl 2-[[4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 26842156

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one?
The IUPAC name of 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one (CID 8554639) is 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one is COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CC[NH+](C)CC1.
What is the InChIKey of 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one?
The InChIKey is ZTSASTIZWPNVKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N4O3/c1-13-6-4-5-7-14(13)22-16(23)12-15(25-3)17(19-22)18(24)21-10-8-20(2)9-11-21/h4-7,12H,8-11H2,1-3H3/p+1.
What are the key properties of 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one?
5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one has a molecular weight of 343.41 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylphenyl)-6-(4-methylpiperazin-4-ium-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 8554639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).