3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one

C9H12N6OS — CID 63770629

IUPAC3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nnsc2NN)c(C)n1
InChIInChI=1S/C9H12N6OS/c1-5-3-8(16)15(6(2)11-5)4-7-9(12-10)17-14-13-7/h3,12H,4,10H2,1-2H3
InChIKeyOJPXKIYZGLLZEL-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.05
Rot. Bonds3

About 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one

3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63770629) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63770629
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nnsc2NN)c(C)n1
InChIInChI=1S/C9H12N6OS/c1-5-3-8(16)15(6(2)11-5)4-7-9(12-10)17-14-13-7/h3,12H,4,10H2,1-2H3
InChIKeyOJPXKIYZGLLZEL-UHFFFAOYSA-N
XLogP0.05
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.05
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-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one
CID 55044777
2,6-Dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 55234917
2,6-Dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 55237819
3-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62193285
6-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 62193812
6-Methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 62193813
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]-6-methylpyridin-2-one
CID 62244467
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62245036
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]pyridin-2-one
CID 62245962
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63768862
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-2,6-dimethylpyrimidin-4-one
CID 63770443
3-[(5-Aminothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63770601

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one (CID 63770629) is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(Cc2nnsc2NN)c(C)n1.
What is the InChIKey of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is OJPXKIYZGLLZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-5-3-8(16)15(6(2)11-5)4-7-9(12-10)17-14-13-7/h3,12H,4,10H2,1-2H3.
What are the key properties of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one?
3-[(5-hydrazinylthiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 252.30 g/mol, XLogP of 0.05, 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]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63770629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).