3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione

C8H10N6O2S — CID 63811045

IUPAC3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2nnsc2NN)c1=O
InChIInChI=1S/C8H10N6O2S/c1-13-3-2-6(15)14(8(13)16)4-5-7(10-9)17-12-11-5/h2-3,10H,4,9H2,1H3
InChIKeyYDNCLYYUPCXNHI-UHFFFAOYSA-N
MW254.27 g/mol
LogP-1.27
Rot. Bonds3

About 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione

3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 63811045) has the molecular formula C8H10N6O2S and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID63811045
Molecular FormulaC8H10N6O2S
Molecular Weight254.27 g/mol
Exact Mass254.06
IUPAC Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2nnsc2NN)c1=O
InChIInChI=1S/C8H10N6O2S/c1-13-3-2-6(15)14(8(13)16)4-5-7(10-9)17-12-11-5/h2-3,10H,4,9H2,1H3
InChIKeyYDNCLYYUPCXNHI-UHFFFAOYSA-N
XLogP-1.27
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione (CID 63811045) is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(Cc2nnsc2NN)c1=O.
What is the InChIKey of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is YDNCLYYUPCXNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c1-13-3-2-6(15)14(8(13)16)4-5-7(10-9)17-12-11-5/h2-3,10H,4,9H2,1H3.
What are the key properties of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 254.27 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63811045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).