3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one

C15H18N4O2 — CID 85079110

IUPAC3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one
SMILESCOc1ccc(C2N=NC(=O)C=C2N2CCNCC2)cc1
InChIInChI=1S/C15H18N4O2/c1-21-12-4-2-11(3-5-12)15-13(10-14(20)17-18-15)19-8-6-16-7-9-19/h2-5,10,15-16H,6-9H2,1H3
InChIKeyWTMCANBWGKVVJP-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.52
Rot. Bonds3

About 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one

3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one (PubChem CID 85079110) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one
PubChem CID85079110
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one
SMILESCOc1ccc(C2N=NC(=O)C=C2N2CCNCC2)cc1
InChIInChI=1S/C15H18N4O2/c1-21-12-4-2-11(3-5-12)15-13(10-14(20)17-18-15)19-8-6-16-7-9-19/h2-5,10,15-16H,6-9H2,1H3
InChIKeyWTMCANBWGKVVJP-UHFFFAOYSA-N
XLogP1.52
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one (CID 85079110) is 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one is COc1ccc(C2N=NC(=O)C=C2N2CCNCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one?
The InChIKey is WTMCANBWGKVVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-12-4-2-11(3-5-12)15-13(10-14(20)17-18-15)19-8-6-16-7-9-19/h2-5,10,15-16H,6-9H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one?
3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one has a molecular weight of 286.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-piperazin-1-yl-3H-pyridazin-6-one is sourced from PubChem (CID 85079110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).