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

C11H15N5OS — CID 106549006

IUPAC5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
SMILESCCCNc1snnc1Cn1ncc(C)cc1=O
InChIInChI=1S/C11H15N5OS/c1-3-4-12-11-9(14-15-18-11)7-16-10(17)5-8(2)6-13-16/h5-6,12H,3-4,7H2,1-2H3
InChIKeyCWYWVHSHRURCOV-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.27
Rot. Bonds5

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

5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one (PubChem CID 106549006) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
PubChem CID106549006
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
SMILESCCCNc1snnc1Cn1ncc(C)cc1=O
InChIInChI=1S/C11H15N5OS/c1-3-4-12-11-9(14-15-18-11)7-16-10(17)5-8(2)6-13-16/h5-6,12H,3-4,7H2,1-2H3
InChIKeyCWYWVHSHRURCOV-UHFFFAOYSA-N
XLogP1.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one (CID 106549006) is 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one is CCCNc1snnc1Cn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is CWYWVHSHRURCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-4-12-11-9(14-15-18-11)7-16-10(17)5-8(2)6-13-16/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?
5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 265.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 106549006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).