5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one

C10H14N6OS — CID 114397206

IUPAC5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
SMILESCNc1snnc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H14N6OS/c1-11-10-8(13-14-18-10)6-16-9(17)4-7(5-12-16)15(2)3/h4-5,11H,6H2,1-3H3
InChIKeyAAVYPYQFVQTFIF-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.25
Rot. Bonds4

About 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one

5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one (PubChem CID 114397206) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
PubChem CID114397206
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
SMILESCNc1snnc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H14N6OS/c1-11-10-8(13-14-18-10)6-16-9(17)4-7(5-12-16)15(2)3/h4-5,11H,6H2,1-3H3
InChIKeyAAVYPYQFVQTFIF-UHFFFAOYSA-N
XLogP0.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one (CID 114397206) is 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one is CNc1snnc1Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is AAVYPYQFVQTFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-11-10-8(13-14-18-10)6-16-9(17)4-7(5-12-16)15(2)3/h4-5,11H,6H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 266.33 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 114397206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).