[4-(carbamimidoyldiazenyl)anilino]urea

C8H11N7O — CID 137321774

IUPAC[4-(carbamimidoyldiazenyl)anilino]urea
SMILES[H]/N=C(N)/N=N/c1ccc(NNC(N)=O)cc1
InChIInChI=1S/C8H11N7O/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,13H,(H3,9,10)(H3,11,15,16)/b14-12+
InChIKeyXUVJIBLUWWQHDY-WYMLVPIESA-N
MW221.22 g/mol
LogP0.66
Rot. Bonds3

About [4-(carbamimidoyldiazenyl)anilino]urea

[4-(carbamimidoyldiazenyl)anilino]urea (PubChem CID 137321774) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is [4-(carbamimidoyldiazenyl)anilino]urea.

Molecular Properties

Compound Name[4-(carbamimidoyldiazenyl)anilino]urea
PubChem CID137321774
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name[4-(carbamimidoyldiazenyl)anilino]urea
SMILES[H]/N=C(N)/N=N/c1ccc(NNC(N)=O)cc1
InChIInChI=1S/C8H11N7O/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,13H,(H3,9,10)(H3,11,15,16)/b14-12+
InChIKeyXUVJIBLUWWQHDY-WYMLVPIESA-N
XLogP0.66
TPSA141.74 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 [4-(carbamimidoyldiazenyl)anilino]urea?
The IUPAC name of [4-(carbamimidoyldiazenyl)anilino]urea (CID 137321774) is [4-(carbamimidoyldiazenyl)anilino]urea.
What is the SMILES notation for [4-(carbamimidoyldiazenyl)anilino]urea?
The canonical SMILES for [4-(carbamimidoyldiazenyl)anilino]urea is [H]/N=C(N)/N=N/c1ccc(NNC(N)=O)cc1.
What is the InChIKey of [4-(carbamimidoyldiazenyl)anilino]urea?
The InChIKey is XUVJIBLUWWQHDY-WYMLVPIESA-N. The full InChI is InChI=1S/C8H11N7O/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,13H,(H3,9,10)(H3,11,15,16)/b14-12+.
What are the key properties of [4-(carbamimidoyldiazenyl)anilino]urea?
[4-(carbamimidoyldiazenyl)anilino]urea has a molecular weight of 221.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carbamimidoyldiazenyl)anilino]urea is sourced from PubChem (CID 137321774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).