1-(2-azidoethyl)-3-(3-nitrophenyl)urea

C9H10N6O3 — CID 61343252

IUPAC1-(2-azidoethyl)-3-(3-nitrophenyl)urea
SMILES[N-]=[N+]=NCCNC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N6O3/c10-14-12-5-4-11-9(16)13-7-2-1-3-8(6-7)15(17)18/h1-3,6H,4-5H2,(H2,11,13,16)
InChIKeyFXOJFOAACYRBOM-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.03
Rot. Bonds5

About 1-(2-azidoethyl)-3-(3-nitrophenyl)urea

1-(2-azidoethyl)-3-(3-nitrophenyl)urea (PubChem CID 61343252) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-(3-nitrophenyl)urea
PubChem CID61343252
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name1-(2-azidoethyl)-3-(3-nitrophenyl)urea
SMILES[N-]=[N+]=NCCNC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N6O3/c10-14-12-5-4-11-9(16)13-7-2-1-3-8(6-7)15(17)18/h1-3,6H,4-5H2,(H2,11,13,16)
InChIKeyFXOJFOAACYRBOM-UHFFFAOYSA-N
XLogP2.03
TPSA133.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-azido-N-(3-nitrophenyl)acetamide
CID 98880869
1-(3-nitrophenyl)-3-[2-(propylamino)ethyl]urea
CID 55100826
1-(2-azidoethyl)-3-(3-chlorophenyl)urea
CID 61342512
1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea
CID 61131314
1-(4-azidobutyl)-3-(4-nitrophenyl)urea
CID 106386947
1-(3-hydroxypentyl)-3-(3-nitrophenyl)urea
CID 115701849
1-[2-(3-bromophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 108901627
3-[(4-bromophenyl)carbamoylamino]-N-(3-nitrophenyl)propanamide
CID 55773716
propan-2-yl 3-[(3-nitrophenyl)carbamoylamino]propanoate
CID 51244401
1-[2-(N-methylanilino)ethyl]-3-(3-nitrophenyl)urea
CID 27870936
1-[3-(2-methoxyethoxy)propyl]-3-(3-nitrophenyl)urea
CID 24626919
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-(3-nitrophenyl)urea?
The IUPAC name of 1-(2-azidoethyl)-3-(3-nitrophenyl)urea (CID 61343252) is 1-(2-azidoethyl)-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-(2-azidoethyl)-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-(2-azidoethyl)-3-(3-nitrophenyl)urea is [N-]=[N+]=NCCNC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(2-azidoethyl)-3-(3-nitrophenyl)urea?
The InChIKey is FXOJFOAACYRBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c10-14-12-5-4-11-9(16)13-7-2-1-3-8(6-7)15(17)18/h1-3,6H,4-5H2,(H2,11,13,16).
What are the key properties of 1-(2-azidoethyl)-3-(3-nitrophenyl)urea?
1-(2-azidoethyl)-3-(3-nitrophenyl)urea has a molecular weight of 250.22 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-(3-nitrophenyl)urea is sourced from PubChem (CID 61343252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).