3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one

C7H8N6OS — CID 63768862

IUPAC3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one
SMILESNNc1snnc1Cn1cnccc1=O
InChIInChI=1S/C7H8N6OS/c8-10-7-5(11-12-15-7)3-13-4-9-2-1-6(13)14/h1-2,4,10H,3,8H2
InChIKeyOFFTWPZLFWTJOD-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.57
Rot. Bonds3

About 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one

3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 63768862) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one
PubChem CID63768862
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one
SMILESNNc1snnc1Cn1cnccc1=O
InChIInChI=1S/C7H8N6OS/c8-10-7-5(11-12-15-7)3-13-4-9-2-1-6(13)14/h1-2,4,10H,3,8H2
InChIKeyOFFTWPZLFWTJOD-UHFFFAOYSA-N
XLogP-0.57
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62193285
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62245036
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one
CID 62245962
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 62246914
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768347
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768516
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768693
3-[(5-Aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63770601
3-[(5-Aminothiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63770615
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63770629
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 63811045
1-Ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63811512

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one (CID 63768862) is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one is NNc1snnc1Cn1cnccc1=O.
What is the InChIKey of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is OFFTWPZLFWTJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c8-10-7-5(11-12-15-7)3-13-4-9-2-1-6(13)14/h1-2,4,10H,3,8H2.
What are the key properties of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one?
3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 224.25 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 63768862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).