4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione

C10H13FN8O3 — CID 173010993

IUPAC4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
SMILESCN(C)N=Nc1nc[nH]c1C(N)=O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C6H10N6O.C4H3FN2O2/c1-12(2)11-10-6-4(5(7)13)8-3-9-6;5-2-1-6-4(9)7-3(2)8/h3H,1-2H3,(H2,7,13)(H,8,9);1H,(H2,6,7,8,9)
InChIKeyRSYLWAAPOQCTBJ-UHFFFAOYSA-N
MW312.27 g/mol
LogP-0.73
Rot. Bonds3

About 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione

4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 173010993) has the molecular formula C10H13FN8O3 and a molecular weight of 312.27 g/mol. Its IUPAC name is 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID173010993
Molecular FormulaC10H13FN8O3
Molecular Weight312.27 g/mol
Exact Mass312.11
IUPAC Name4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
SMILESCN(C)N=Nc1nc[nH]c1C(N)=O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C6H10N6O.C4H3FN2O2/c1-12(2)11-10-6-4(5(7)13)8-3-9-6;5-2-1-6-4(9)7-3(2)8/h3H,1-2H3,(H2,7,13)(H,8,9);1H,(H2,6,7,8,9)
InChIKeyRSYLWAAPOQCTBJ-UHFFFAOYSA-N
XLogP-0.73
TPSA165.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_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 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione (CID 173010993) is 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione is CN(C)N=Nc1nc[nH]c1C(N)=O.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is RSYLWAAPOQCTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O.C4H3FN2O2/c1-12(2)11-10-6-4(5(7)13)8-3-9-6;5-2-1-6-4(9)7-3(2)8/h3H,1-2H3,(H2,7,13)(H,8,9);1H,(H2,6,7,8,9).
What are the key properties of 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione?
4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 312.27 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 173010993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).