3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C16H20N4O2 — CID 9153300

IUPAC3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccccc1N1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C16H20N4O2/c1-12-4-2-3-5-14(12)19-8-10-20(11-9-19)16(22)13-6-7-15(21)18-17-13/h2-5H,6-11H2,1H3,(H,18,21)
InChIKeyLMYQNPKLNBHSJB-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.91
Rot. Bonds2

About 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 9153300) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID9153300
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccccc1N1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C16H20N4O2/c1-12-4-2-3-5-14(12)19-8-10-20(11-9-19)16(22)13-6-7-15(21)18-17-13/h2-5H,6-11H2,1H3,(H,18,21)
InChIKeyLMYQNPKLNBHSJB-UHFFFAOYSA-N
XLogP0.91
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61245068
3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802732
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108741818
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802832
3-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61259094
(3-amino-1H-pyrazol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 64523270
3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60712555
3-(4-benzylsulfonylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 9299103

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 9153300) is 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1ccccc1N1CCN(C(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is LMYQNPKLNBHSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-2-3-5-14(12)19-8-10-20(11-9-19)16(22)13-6-7-15(21)18-17-13/h2-5H,6-11H2,1H3,(H,18,21).
What are the key properties of 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 300.36 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 9153300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).