2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one

C14H20N6OS — CID 126930784

IUPAC2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCn1nc(N2CCCCC2CNCc2csnn2)ccc1=O
InChIInChI=1S/C14H20N6OS/c1-19-14(21)6-5-13(17-19)20-7-3-2-4-12(20)9-15-8-11-10-22-18-16-11/h5-6,10,12,15H,2-4,7-9H2,1H3
InChIKeyGADMXFWPFLYREO-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.78
Rot. Bonds5

About 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one

2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126930784) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126930784
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCn1nc(N2CCCCC2CNCc2csnn2)ccc1=O
InChIInChI=1S/C14H20N6OS/c1-19-14(21)6-5-13(17-19)20-7-3-2-4-12(20)9-15-8-11-10-22-18-16-11/h5-6,10,12,15H,2-4,7-9H2,1H3
InChIKeyGADMXFWPFLYREO-UHFFFAOYSA-N
XLogP0.78
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115905144
2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930745
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126930659
6-[2-[[(2-methylpyrazol-3-yl)methylamino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931168
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]morpholine-4-sulfonamide
CID 126930689
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930820
2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930873
1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide
CID 126930618
7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126930585
2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide
CID 126930631
3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one (CID 126930784) is 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one is Cn1nc(N2CCCCC2CNCc2csnn2)ccc1=O.
What is the InChIKey of 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is GADMXFWPFLYREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-19-14(21)6-5-13(17-19)20-7-3-2-4-12(20)9-15-8-11-10-22-18-16-11/h5-6,10,12,15H,2-4,7-9H2,1H3.
What are the key properties of 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one?
2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 320.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126930784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).