[(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea

C9H14N6OS — CID 2838721

IUPAC[(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea
SMILESNC(=S)NNc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C9H14N6OS/c10-9(17)14-12-7-1-2-8(13-11-7)15-3-5-16-6-4-15/h1-2H,3-6H2,(H,11,12)(H3,10,14,17)
InChIKeyPPTDROYZJYZVQS-UHFFFAOYSA-N
MW254.32 g/mol
LogP-0.53
Rot. Bonds3

About [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea

[(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea (PubChem CID 2838721) has the molecular formula C9H14N6OS and a molecular weight of 254.32 g/mol. Its IUPAC name is [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea.

Molecular Properties

Compound Name[(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea
PubChem CID2838721
Molecular FormulaC9H14N6OS
Molecular Weight254.32 g/mol
Exact Mass254.09
IUPAC Name[(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea
SMILESNC(=S)NNc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C9H14N6OS/c10-9(17)14-12-7-1-2-8(13-11-7)15-3-5-16-6-4-15/h1-2H,3-6H2,(H,11,12)(H3,10,14,17)
InChIKeyPPTDROYZJYZVQS-UHFFFAOYSA-N
XLogP-0.53
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea?
The IUPAC name of [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea (CID 2838721) is [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea.
What is the SMILES notation for [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea?
The canonical SMILES for [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea is NC(=S)NNc1ccc(N2CCOCC2)nn1.
What is the InChIKey of [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea?
The InChIKey is PPTDROYZJYZVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6OS/c10-9(17)14-12-7-1-2-8(13-11-7)15-3-5-16-6-4-15/h1-2H,3-6H2,(H,11,12)(H3,10,14,17).
What are the key properties of [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea?
[(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea has a molecular weight of 254.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-morpholin-4-ylpyridazin-3-yl)amino]thiourea is sourced from PubChem (CID 2838721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).