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

C9H12N6O2S — CID 63811512

IUPAC1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nnsc2NN)c1=O
InChIInChI=1S/C9H12N6O2S/c1-2-14-4-3-7(16)15(9(14)17)5-6-8(11-10)18-13-12-6/h3-4,11H,2,5,10H2,1H3
InChIKeyNYNSHWIIQYSTCX-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.78
Rot. Bonds4

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

1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 63811512) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID63811512
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nnsc2NN)c1=O
InChIInChI=1S/C9H12N6O2S/c1-2-14-4-3-7(16)15(9(14)17)5-6-8(11-10)18-13-12-6/h3-4,11H,2,5,10H2,1H3
InChIKeyNYNSHWIIQYSTCX-UHFFFAOYSA-N
XLogP-0.78
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.78
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 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione (CID 63811512) is 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2nnsc2NN)c1=O.
What is the InChIKey of 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is NYNSHWIIQYSTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-2-14-4-3-7(16)15(9(14)17)5-6-8(11-10)18-13-12-6/h3-4,11H,2,5,10H2,1H3.
What are the key properties of 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 268.30 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63811512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).