[(5-nitrofuran-2-yl)amino]urea

C5H6N4O4 — CID 175171199

IUPAC[(5-nitrofuran-2-yl)amino]urea
SMILESNC(=O)NNc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H6N4O4/c6-5(10)8-7-3-1-2-4(13-3)9(11)12/h1-2,7H,(H3,6,8,10)
InChIKeyCPSLVLPJPLJTCS-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.18
Rot. Bonds3

About [(5-nitrofuran-2-yl)amino]urea

[(5-nitrofuran-2-yl)amino]urea (PubChem CID 175171199) has the molecular formula C5H6N4O4 and a molecular weight of 186.13 g/mol. Its IUPAC name is [(5-nitrofuran-2-yl)amino]urea.

Molecular Properties

Compound Name[(5-nitrofuran-2-yl)amino]urea
PubChem CID175171199
Molecular FormulaC5H6N4O4
Molecular Weight186.13 g/mol
Exact Mass186.04
IUPAC Name[(5-nitrofuran-2-yl)amino]urea
SMILESNC(=O)NNc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H6N4O4/c6-5(10)8-7-3-1-2-4(13-3)9(11)12/h1-2,7H,(H3,6,8,10)
InChIKeyCPSLVLPJPLJTCS-UHFFFAOYSA-N
XLogP0.18
TPSA123.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
CID 20981860
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
CID 134117137
2,3-dibromo-2-(5-nitrofuran-2-yl)propanamide
CID 21121874
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
CID 6536920
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
2-amino-3-hydroxy-3-(5-nitrofuran-2-yl)propanoic acid
CID 66206757
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
ethyl 2-[(5-nitrofuran-2-yl)methylamino]acetate
CID 60811614

Frequently Asked Questions

What is the IUPAC name of [(5-nitrofuran-2-yl)amino]urea?
The IUPAC name of [(5-nitrofuran-2-yl)amino]urea (CID 175171199) is [(5-nitrofuran-2-yl)amino]urea.
What is the SMILES notation for [(5-nitrofuran-2-yl)amino]urea?
The canonical SMILES for [(5-nitrofuran-2-yl)amino]urea is NC(=O)NNc1ccc([N+](=O)[O-])o1.
What is the InChIKey of [(5-nitrofuran-2-yl)amino]urea?
The InChIKey is CPSLVLPJPLJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O4/c6-5(10)8-7-3-1-2-4(13-3)9(11)12/h1-2,7H,(H3,6,8,10).
What are the key properties of [(5-nitrofuran-2-yl)amino]urea?
[(5-nitrofuran-2-yl)amino]urea has a molecular weight of 186.13 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-nitrofuran-2-yl)amino]urea is sourced from PubChem (CID 175171199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).