2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one

C15H20N6O2 — CID 126930552

IUPAC2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one
SMILESCn1nc(NCC2CCCCN2c2ccc(=O)[nH]n2)ccc1=O
InChIInChI=1S/C15H20N6O2/c1-20-15(23)8-5-12(19-20)16-10-11-4-2-3-9-21(11)13-6-7-14(22)18-17-13/h5-8,11H,2-4,9-10H2,1H3,(H,16,19)(H,18,22)
InChIKeyRMZNMSNIGBBMEY-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.33
Rot. Bonds4

About 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one

2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one (PubChem CID 126930552) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one
PubChem CID126930552
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one
SMILESCn1nc(NCC2CCCCN2c2ccc(=O)[nH]n2)ccc1=O
InChIInChI=1S/C15H20N6O2/c1-20-15(23)8-5-12(19-20)16-10-11-4-2-3-9-21(11)13-6-7-14(22)18-17-13/h5-8,11H,2-4,9-10H2,1H3,(H,16,19)(H,18,22)
InChIKeyRMZNMSNIGBBMEY-UHFFFAOYSA-N
XLogP0.33
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one with MolForge

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Related Compounds

6-(3-Aminopiperidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052724
6-(3-Aminopiperidin-1-YL)-2-(2-methoxyethyl)-2,3-dihydropyridazin-3-one
CID 124052727
6-{4-[2-(Azepan-1-yl)propanoyl]piperazin-1-yl}-2,3-dihydropyridazin-3-one
CID 75374705
4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662473
4-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1H-pyridazin-6-one
CID 155284728
4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one
CID 155284729
3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
CID 178116543
ethane;3-piperazin-1-yl-1H-pyridazin-6-one
CID 178116795
2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl]-N-(propan-2-yl)acetamide
CID 52899252
N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide
CID 75370697
(2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide
CID 97212367
(2S)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide
CID 97212368

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one (CID 126930552) is 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one is Cn1nc(NCC2CCCCN2c2ccc(=O)[nH]n2)ccc1=O.
What is the InChIKey of 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one?
The InChIKey is RMZNMSNIGBBMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20-15(23)8-5-12(19-20)16-10-11-4-2-3-9-21(11)13-6-7-14(22)18-17-13/h5-8,11H,2-4,9-10H2,1H3,(H,16,19)(H,18,22).
What are the key properties of 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one?
2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one has a molecular weight of 316.37 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyridazin-3-one is sourced from PubChem (CID 126930552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).