6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C15H20N6O3 — CID 56798159

IUPAC6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccnc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1
InChIInChI=1S/C15H20N6O3/c1-19-13(22)4-3-11(18-19)14(23)20-7-9-21(10-8-20)15-16-6-5-12(17-15)24-2/h5-6H,3-4,7-10H2,1-2H3
InChIKeyLNHGIBGVZPZBIJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.26
Rot. Bonds3

About 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 56798159) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID56798159
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccnc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1
InChIInChI=1S/C15H20N6O3/c1-19-13(22)4-3-11(18-19)14(23)20-7-9-21(10-8-20)15-16-6-5-12(17-15)24-2/h5-6H,3-4,7-10H2,1-2H3
InChIKeyLNHGIBGVZPZBIJ-UHFFFAOYSA-N
XLogP-0.26
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 135105208
6-(4-acetylpiperazine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one
CID 47016916
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56796895
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
2-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10269857
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780
[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133282779
5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171993393
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94669112
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 56798159) is 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is COc1ccnc(N2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)n1.
What is the InChIKey of 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is LNHGIBGVZPZBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-19-13(22)4-3-11(18-19)14(23)20-7-9-21(10-8-20)15-16-6-5-12(17-15)24-2/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 332.36 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 56798159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).