1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea

C6H11N7O2 — CID 174858524

IUPAC1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea
SMILESNC(=O)N(N)c1ccc(N(N)C(N)=O)[nH]1
InChIInChI=1S/C6H11N7O2/c7-5(14)12(9)3-1-2-4(11-3)13(10)6(8)15/h1-2,11H,9-10H2,(H2,7,14)(H2,8,15)
InChIKeyUIVZPADOEBSGLJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.47
Rot. Bonds2

About 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea

1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea (PubChem CID 174858524) has the molecular formula C6H11N7O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea.

Molecular Properties

Compound Name1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea
PubChem CID174858524
Molecular FormulaC6H11N7O2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea
SMILESNC(=O)N(N)c1ccc(N(N)C(N)=O)[nH]1
InChIInChI=1S/C6H11N7O2/c7-5(14)12(9)3-1-2-4(11-3)13(10)6(8)15/h1-2,11H,9-10H2,(H2,7,14)(H2,8,15)
InChIKeyUIVZPADOEBSGLJ-UHFFFAOYSA-N
XLogP-1.47
TPSA160.49 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea 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-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea?
The IUPAC name of 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea (CID 174858524) is 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea.
What is the SMILES notation for 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea?
The canonical SMILES for 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea is NC(=O)N(N)c1ccc(N(N)C(N)=O)[nH]1.
What is the InChIKey of 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea?
The InChIKey is UIVZPADOEBSGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N7O2/c7-5(14)12(9)3-1-2-4(11-3)13(10)6(8)15/h1-2,11H,9-10H2,(H2,7,14)(H2,8,15).
What are the key properties of 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea?
1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea has a molecular weight of 213.20 g/mol, XLogP of -1.47, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[5-[amino(carbamoyl)amino]-1H-pyrrol-2-yl]urea is sourced from PubChem (CID 174858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).