2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one

C12H16N6O2S — CID 114397236

IUPAC2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCNc1snnc1Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H16N6O2S/c1-13-12-10(15-16-21-12)8-18-11(19)6-9(7-14-18)17-2-4-20-5-3-17/h6-7,13H,2-5,8H2,1H3
InChIKeyOBRSYMKJWAVBPS-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.02
Rot. Bonds4

About 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one

2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114397236) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID114397236
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCNc1snnc1Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H16N6O2S/c1-13-12-10(15-16-21-12)8-18-11(19)6-9(7-14-18)17-2-4-20-5-3-17/h6-7,13H,2-5,8H2,1H3
InChIKeyOBRSYMKJWAVBPS-UHFFFAOYSA-N
XLogP0.02
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one (CID 114397236) is 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one is CNc1snnc1Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is OBRSYMKJWAVBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-13-12-10(15-16-21-12)8-18-11(19)6-9(7-14-18)17-2-4-20-5-3-17/h6-7,13H,2-5,8H2,1H3.
What are the key properties of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 308.37 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114397236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).