2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one

C19H22N6O2S — CID 126936445

IUPAC2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCOCc1nnc(NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)s1
InChIInChI=1S/C19H22N6O2S/c1-27-12-17-22-23-19(28-17)21-14-4-6-15(7-5-14)25-18(26)9-8-16(24-25)13-3-2-10-20-11-13/h2-3,8-11,14-15H,4-7,12H2,1H3,(H,21,23)
InChIKeyPORQLUGVVFBBCY-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one

2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126936445) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126936445
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCOCc1nnc(NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)s1
InChIInChI=1S/C19H22N6O2S/c1-27-12-17-22-23-19(28-17)21-14-4-6-15(7-5-14)25-18(26)9-8-16(24-25)13-3-2-10-20-11-13/h2-3,8-11,14-15H,4-7,12H2,1H3,(H,21,23)
InChIKeyPORQLUGVVFBBCY-UHFFFAOYSA-N
XLogP2.90
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

2-[4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936441
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936354
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936493
6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
CID 126936312
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 126936211
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126936292
2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936379

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one (CID 126936445) is 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one is COCc1nnc(NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)s1.
What is the InChIKey of 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is PORQLUGVVFBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-27-12-17-22-23-19(28-17)21-14-4-6-15(7-5-14)25-18(26)9-8-16(24-25)13-3-2-10-20-11-13/h2-3,8-11,14-15H,4-7,12H2,1H3,(H,21,23).
What are the key properties of 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 398.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126936445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).