1-amino-3-cyclopentylurea

C6H13N3O — CID 43164032

IUPAC1-amino-3-cyclopentylurea
SMILESNNC(=O)NC1CCCC1
InChIInChI=1S/C6H13N3O/c7-9-6(10)8-5-3-1-2-4-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKeyBUQMXMDRGBXRCA-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.10
Rot. Bonds1

About 1-amino-3-cyclopentylurea

1-amino-3-cyclopentylurea (PubChem CID 43164032) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-amino-3-cyclopentylurea.

Molecular Properties

Compound Name1-amino-3-cyclopentylurea
PubChem CID43164032
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-amino-3-cyclopentylurea
SMILESNNC(=O)NC1CCCC1
InChIInChI=1S/C6H13N3O/c7-9-6(10)8-5-3-1-2-4-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKeyBUQMXMDRGBXRCA-UHFFFAOYSA-N
XLogP0.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.10
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'}

Analyze 1-amino-3-cyclopentylurea 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-amino-3-cyclopentylurea?
The IUPAC name of 1-amino-3-cyclopentylurea (CID 43164032) is 1-amino-3-cyclopentylurea.
What is the SMILES notation for 1-amino-3-cyclopentylurea?
The canonical SMILES for 1-amino-3-cyclopentylurea is NNC(=O)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentylurea?
The InChIKey is BUQMXMDRGBXRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-9-6(10)8-5-3-1-2-4-5/h5H,1-4,7H2,(H2,8,9,10).
What are the key properties of 1-amino-3-cyclopentylurea?
1-amino-3-cyclopentylurea has a molecular weight of 143.19 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentylurea is sourced from PubChem (CID 43164032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).