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

C7H8N6O2S — CID 62246914

IUPAC1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESNNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N6O2S/c8-10-6-4(11-12-16-6)3-13-2-1-5(14)9-7(13)15/h1-2,10H,3,8H2,(H,9,14,15)
InChIKeyWKKSXIQYGQLBDP-UHFFFAOYSA-N
MW240.25 g/mol
LogP-1.28
Rot. Bonds3

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

1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 62246914) has the molecular formula C7H8N6O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID62246914
Molecular FormulaC7H8N6O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESNNc1snnc1Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N6O2S/c8-10-6-4(11-12-16-6)3-13-2-1-5(14)9-7(13)15/h1-2,10H,3,8H2,(H,9,14,15)
InChIKeyWKKSXIQYGQLBDP-UHFFFAOYSA-N
XLogP-1.28
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-1.28
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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Related Compounds

1-[(5-Aminothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63556803
5-Fluoro-1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63559012
1-[(5-Hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione
CID 55239568
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 55239762
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 55239763
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 62209069
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 62209070
1-[(5-Aminothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 62209387
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 62209390
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63768862
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-1-methyl-5-nitropyrimidine-2,4-dione
CID 63799780
1-Ethyl-3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione
CID 63800127

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione (CID 62246914) is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione is NNc1snnc1Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is WKKSXIQYGQLBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S/c8-10-6-4(11-12-16-6)3-13-2-1-5(14)9-7(13)15/h1-2,10H,3,8H2,(H,9,14,15).
What are the key properties of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 240.25 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62246914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).