1-amino-3-phenylurea

C7H9N3O — CID 10837

IUPAC1-amino-3-phenylurea
SMILESNNC(=O)Nc1ccccc1
InChIInChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)
InChIKeyMOCKWYUCPREFCZ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.68
Rot. Bonds1

About 1-amino-3-phenylurea

1-amino-3-phenylurea (PubChem CID 10837) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-amino-3-phenylurea.

Molecular Properties

Compound Name1-amino-3-phenylurea
PubChem CID10837
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-amino-3-phenylurea
SMILESNNC(=O)Nc1ccccc1
InChIInChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)
InChIKeyMOCKWYUCPREFCZ-UHFFFAOYSA-N
XLogP0.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenylurea?
The IUPAC name of 1-amino-3-phenylurea (CID 10837) is 1-amino-3-phenylurea.
What is the SMILES notation for 1-amino-3-phenylurea?
The canonical SMILES for 1-amino-3-phenylurea is NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-amino-3-phenylurea?
The InChIKey is MOCKWYUCPREFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11).
What are the key properties of 1-amino-3-phenylurea?
1-amino-3-phenylurea has a molecular weight of 151.17 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenylurea is sourced from PubChem (CID 10837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).