1-(aminodiazenyl)pyrimidine-2,4-dione

C4H5N5O2 — CID 54335185

IUPAC1-(aminodiazenyl)pyrimidine-2,4-dione
SMILESNN=Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C4H5N5O2/c5-7-8-9-2-1-3(10)6-4(9)11/h1-2H,(H2,5,8)(H,6,10,11)
InChIKeyTUYZSKGUNQXGDP-UHFFFAOYSA-N
MW155.12 g/mol
LogP-1.37
Rot. Bonds1

About 1-(aminodiazenyl)pyrimidine-2,4-dione

1-(aminodiazenyl)pyrimidine-2,4-dione (PubChem CID 54335185) has the molecular formula C4H5N5O2 and a molecular weight of 155.12 g/mol. Its IUPAC name is 1-(aminodiazenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(aminodiazenyl)pyrimidine-2,4-dione
PubChem CID54335185
Molecular FormulaC4H5N5O2
Molecular Weight155.12 g/mol
Exact Mass155.04
IUPAC Name1-(aminodiazenyl)pyrimidine-2,4-dione
SMILESNN=Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C4H5N5O2/c5-7-8-9-2-1-3(10)6-4(9)11/h1-2H,(H2,5,8)(H,6,10,11)
InChIKeyTUYZSKGUNQXGDP-UHFFFAOYSA-N
XLogP-1.37
TPSA105.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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-(aminodiazenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(aminodiazenyl)pyrimidine-2,4-dione (CID 54335185) is 1-(aminodiazenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(aminodiazenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(aminodiazenyl)pyrimidine-2,4-dione is NN=Nn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(aminodiazenyl)pyrimidine-2,4-dione?
The InChIKey is TUYZSKGUNQXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O2/c5-7-8-9-2-1-3(10)6-4(9)11/h1-2H,(H2,5,8)(H,6,10,11).
What are the key properties of 1-(aminodiazenyl)pyrimidine-2,4-dione?
1-(aminodiazenyl)pyrimidine-2,4-dione has a molecular weight of 155.12 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 54335185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).