1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea

C12H11N5O4 — CID 22046313

IUPAC1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C12H11N5O4/c1-21-10-6-8(17(19)20)2-3-9(10)15-12(18)16-11-7-13-4-5-14-11/h2-7H,1H3,(H2,14,15,16,18)
InChIKeyUBAYDDDQLQMWLF-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea

1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea (PubChem CID 22046313) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea
PubChem CID22046313
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C12H11N5O4/c1-21-10-6-8(17(19)20)2-3-9(10)15-12(18)16-11-7-13-4-5-14-11/h2-7H,1H3,(H2,14,15,16,18)
InChIKeyUBAYDDDQLQMWLF-UHFFFAOYSA-N
XLogP2.04
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea (CID 22046313) is 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea is COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cnccn1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea?
The InChIKey is UBAYDDDQLQMWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-21-10-6-8(17(19)20)2-3-9(10)15-12(18)16-11-7-13-4-5-14-11/h2-7H,1H3,(H2,14,15,16,18).
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea?
1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea has a molecular weight of 289.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 22046313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).