3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

C17H20N4O2 — CID 3796874

IUPAC3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cccc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2C)c1
InChIInChI=1S/C17H20N4O2/c1-12-4-3-5-14(10-12)21-9-8-20(11-13(21)2)17(23)15-6-7-16(22)19-18-15/h3-7,10,13H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyYGZQHMMWZZGZSB-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.43
Rot. Bonds2

About 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 3796874) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID3796874
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cccc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2C)c1
InChIInChI=1S/C17H20N4O2/c1-12-4-3-5-14(10-12)21-9-8-20(11-13(21)2)17(23)15-6-7-16(22)19-18-15/h3-7,10,13H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyYGZQHMMWZZGZSB-UHFFFAOYSA-N
XLogP1.43
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018
(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804402
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2010571
3-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2470279
1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
CID 46364973
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 59382198
6-[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122058157
2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione
CID 95074830

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 3796874) is 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is Cc1cccc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2C)c1.
What is the InChIKey of 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is YGZQHMMWZZGZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-4-3-5-14(10-12)21-9-8-20(11-13(21)2)17(23)15-6-7-16(22)19-18-15/h3-7,10,13H,8-9,11H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 312.37 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 3796874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).