6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one

C16H21N5OS — CID 126935074

IUPAC6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1nnc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)s1
InChIInChI=1S/C16H21N5OS/c1-10-18-19-16(23-10)17-12-4-6-13(7-5-12)21-15(22)9-8-14(20-21)11-2-3-11/h8-9,11-13H,2-7H2,1H3,(H,17,19)
InChIKeyXSFIMTOXGVZENS-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.88
Rot. Bonds4

About 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one

6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126935074) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126935074
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1nnc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)s1
InChIInChI=1S/C16H21N5OS/c1-10-18-19-16(23-10)17-12-4-6-13(7-5-12)21-15(22)9-8-14(20-21)11-2-3-11/h8-9,11-13H,2-7H2,1H3,(H,17,19)
InChIKeyXSFIMTOXGVZENS-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935075
6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935165
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126936999
2-cyclobutyl-6-cyclopropylpyridazin-3-one
CID 126857338
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936354
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126935035
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide
CID 126934997
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126935236
6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935253
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934708

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one (CID 126935074) is 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one is Cc1nnc(NC2CCC(n3nc(C4CC4)ccc3=O)CC2)s1.
What is the InChIKey of 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is XSFIMTOXGVZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-18-19-16(23-10)17-12-4-6-13(7-5-12)21-15(22)9-8-14(20-21)11-2-3-11/h8-9,11-13H,2-7H2,1H3,(H,17,19).
What are the key properties of 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 331.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).