5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione

C7H7FN6O2S — CID 80614306

IUPAC5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione
SMILESNNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C7H7FN6O2S/c8-3-1-14(7(16)10-5(3)15)2-4-12-13-6(11-9)17-4/h1H,2,9H2,(H,11,13)(H,10,15,16)
InChIKeyMLCLPTVOCNQELI-UHFFFAOYSA-N
MW258.24 g/mol
LogP-1.14
Rot. Bonds3

About 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 80614306) has the molecular formula C7H7FN6O2S and a molecular weight of 258.24 g/mol. Its IUPAC name is 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID80614306
Molecular FormulaC7H7FN6O2S
Molecular Weight258.24 g/mol
Exact Mass258.03
IUPAC Name5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione
SMILESNNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C7H7FN6O2S/c8-3-1-14(7(16)10-5(3)15)2-4-12-13-6(11-9)17-4/h1H,2,9H2,(H,11,13)(H,10,15,16)
InChIKeyMLCLPTVOCNQELI-UHFFFAOYSA-N
XLogP-1.14
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione (CID 80614306) is 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione is NNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is MLCLPTVOCNQELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN6O2S/c8-3-1-14(7(16)10-5(3)15)2-4-12-13-6(11-9)17-4/h1H,2,9H2,(H,11,13)(H,10,15,16).
What are the key properties of 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione?
5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 258.24 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80614306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).