1-amino-3-ethylurea

C3H9N3O — CID 12676225

IUPAC1-amino-3-ethylurea
SMILESCCNC(=O)NN
InChIInChI=1S/C3H9N3O/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)
InChIKeyCJYIAZYTBJVFOT-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.82
Rot. Bonds1

About 1-amino-3-ethylurea

1-amino-3-ethylurea (PubChem CID 12676225) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 1-amino-3-ethylurea.

Molecular Properties

Compound Name1-amino-3-ethylurea
PubChem CID12676225
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name1-amino-3-ethylurea
SMILESCCNC(=O)NN
InChIInChI=1S/C3H9N3O/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)
InChIKeyCJYIAZYTBJVFOT-UHFFFAOYSA-N
XLogP-0.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.82
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-ethylurea?
The IUPAC name of 1-amino-3-ethylurea (CID 12676225) is 1-amino-3-ethylurea.
What is the SMILES notation for 1-amino-3-ethylurea?
The canonical SMILES for 1-amino-3-ethylurea is CCNC(=O)NN.
What is the InChIKey of 1-amino-3-ethylurea?
The InChIKey is CJYIAZYTBJVFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7).
What are the key properties of 1-amino-3-ethylurea?
1-amino-3-ethylurea has a molecular weight of 103.12 g/mol, XLogP of -0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethylurea is sourced from PubChem (CID 12676225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).