3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one

C12H11N5OS — CID 62244842

IUPAC3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESNNc1ccc(Cn2cnc3ccsc3c2=O)cn1
InChIInChI=1S/C12H11N5OS/c13-16-10-2-1-8(5-14-10)6-17-7-15-9-3-4-19-11(9)12(17)18/h1-5,7H,6,13H2,(H,14,16)
InChIKeyXLYYBLRCSVXVOY-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.19
Rot. Bonds3

About 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 62244842) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID62244842
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESNNc1ccc(Cn2cnc3ccsc3c2=O)cn1
InChIInChI=1S/C12H11N5OS/c13-16-10-2-1-8(5-14-10)6-17-7-15-9-3-4-19-11(9)12(17)18/h1-5,7H,6,13H2,(H,14,16)
InChIKeyXLYYBLRCSVXVOY-UHFFFAOYSA-N
XLogP1.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one 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 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 62244842) is 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one is NNc1ccc(Cn2cnc3ccsc3c2=O)cn1.
What is the InChIKey of 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XLYYBLRCSVXVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-16-10-2-1-8(5-14-10)6-17-7-15-9-3-4-19-11(9)12(17)18/h1-5,7H,6,13H2,(H,14,16).
What are the key properties of 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 273.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 62244842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).