[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid

C6H9N4O8P — CID 139205306

IUPAC[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
SMILESNC(=O)N/N=C/c1ccc([N+](=O)[O-])o1.O=P(O)(O)O
InChIInChI=1S/C6H6N4O4.H3O4P/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13;1-5(2,3)4/h1-3H,(H3,7,9,11);(H3,1,2,3,4)/b8-3+;
InChIKeyXSFLANGHQBQNDV-DCDCITSCSA-N
MW296.13 g/mol
LogP-0.74
Rot. Bonds3

About [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid

[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid (PubChem CID 139205306) has the molecular formula C6H9N4O8P and a molecular weight of 296.13 g/mol. Its IUPAC name is [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid.

Molecular Properties

Compound Name[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
PubChem CID139205306
Molecular FormulaC6H9N4O8P
Molecular Weight296.13 g/mol
Exact Mass296.02
IUPAC Name[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
SMILESNC(=O)N/N=C/c1ccc([N+](=O)[O-])o1.O=P(O)(O)O
InChIInChI=1S/C6H6N4O4.H3O4P/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13;1-5(2,3)4/h1-3H,(H3,7,9,11);(H3,1,2,3,4)/b8-3+;
InChIKeyXSFLANGHQBQNDV-DCDCITSCSA-N
XLogP-0.74
TPSA201.52 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
CID 5396872
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
CID 6444719
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
CID 6875630
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid?
The IUPAC name of [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid (CID 139205306) is [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid.
What is the SMILES notation for [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid?
The canonical SMILES for [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid is NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1.O=P(O)(O)O.
What is the InChIKey of [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid?
The InChIKey is XSFLANGHQBQNDV-DCDCITSCSA-N. The full InChI is InChI=1S/C6H6N4O4.H3O4P/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13;1-5(2,3)4/h1-3H,(H3,7,9,11);(H3,1,2,3,4)/b8-3+;.
What are the key properties of [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid?
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid has a molecular weight of 296.13 g/mol, XLogP of -0.74, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid is sourced from PubChem (CID 139205306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).