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

C7H7N7O4S — CID 55239568

IUPAC1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione
SMILESNNc1snnc1Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C7H7N7O4S/c8-10-6-3(11-12-19-6)1-13-2-4(14(17)18)5(15)9-7(13)16/h2,10H,1,8H2,(H,9,15,16)
InChIKeyBIPUAMCYBMWYGA-UHFFFAOYSA-N
MW285.25 g/mol
LogP-1.37
Rot. Bonds4

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

1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione (PubChem CID 55239568) has the molecular formula C7H7N7O4S and a molecular weight of 285.25 g/mol. Its IUPAC name is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione
PubChem CID55239568
Molecular FormulaC7H7N7O4S
Molecular Weight285.25 g/mol
Exact Mass285.03
IUPAC Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione
SMILESNNc1snnc1Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C7H7N7O4S/c8-10-6-3(11-12-19-6)1-13-2-4(14(17)18)5(15)9-7(13)16/h2,10H,1,8H2,(H,9,15,16)
InChIKeyBIPUAMCYBMWYGA-UHFFFAOYSA-N
XLogP-1.37
TPSA161.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione (CID 55239568) is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione is NNc1snnc1Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione?
The InChIKey is BIPUAMCYBMWYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N7O4S/c8-10-6-3(11-12-19-6)1-13-2-4(14(17)18)5(15)9-7(13)16/h2,10H,1,8H2,(H,9,15,16).
What are the key properties of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione?
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione has a molecular weight of 285.25 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 55239568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).