2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one

C10H13N3O2S — CID 47044011

IUPAC2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2CCSCC2)ccc1=O
InChIInChI=1S/C10H13N3O2S/c1-12-9(14)3-2-8(11-12)10(15)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3
InChIKeyITNNJIOVSGSUIO-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.03
Rot. Bonds1

About 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one

2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one (PubChem CID 47044011) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one
PubChem CID47044011
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2CCSCC2)ccc1=O
InChIInChI=1S/C10H13N3O2S/c1-12-9(14)3-2-8(11-12)10(15)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3
InChIKeyITNNJIOVSGSUIO-UHFFFAOYSA-N
XLogP-0.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one (CID 47044011) is 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one is Cn1nc(C(=O)N2CCSCC2)ccc1=O.
What is the InChIKey of 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one?
The InChIKey is ITNNJIOVSGSUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-12-9(14)3-2-8(11-12)10(15)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3.
What are the key properties of 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one?
2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one has a molecular weight of 239.30 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(thiomorpholine-4-carbonyl)pyridazin-3-one is sourced from PubChem (CID 47044011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).