1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea

C6H7N5O5 — CID 134117137

IUPAC1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
SMILESNNC(=O)NNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H7N5O5/c7-8-6(13)10-9-5(12)3-1-2-4(16-3)11(14)15/h1-2H,7H2,(H,9,12)(H2,8,10,13)
InChIKeyATMZXQMUOFOCJF-UHFFFAOYSA-N
MW229.15 g/mol
LogP-0.99
Rot. Bonds2

About 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea

1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea (PubChem CID 134117137) has the molecular formula C6H7N5O5 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
PubChem CID134117137
Molecular FormulaC6H7N5O5
Molecular Weight229.15 g/mol
Exact Mass229.04
IUPAC Name1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
SMILESNNC(=O)NNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H7N5O5/c7-8-6(13)10-9-5(12)3-1-2-4(16-3)11(14)15/h1-2H,7H2,(H,9,12)(H2,8,10,13)
InChIKeyATMZXQMUOFOCJF-UHFFFAOYSA-N
XLogP-0.99
TPSA152.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
CID 102603103
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide
CID 43600127

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea?
The IUPAC name of 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea (CID 134117137) is 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea.
What is the SMILES notation for 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea?
The canonical SMILES for 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea is NNC(=O)NNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea?
The InChIKey is ATMZXQMUOFOCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O5/c7-8-6(13)10-9-5(12)3-1-2-4(16-3)11(14)15/h1-2H,7H2,(H,9,12)(H2,8,10,13).
What are the key properties of 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea?
1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea has a molecular weight of 229.15 g/mol, XLogP of -0.99, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea is sourced from PubChem (CID 134117137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).