[(2,5-dihydroxyphenyl)methylideneamino]urea

C8H9N3O3 — CID 5052012

IUPAC[(2,5-dihydroxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(O)ccc1O
InChIInChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-3-6(12)1-2-7(5)13/h1-4,12-13H,(H3,9,11,14)
InChIKeyVKOFPWDMYSJIFA-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.10
Rot. Bonds2

About [(2,5-dihydroxyphenyl)methylideneamino]urea

[(2,5-dihydroxyphenyl)methylideneamino]urea (PubChem CID 5052012) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is [(2,5-dihydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(2,5-dihydroxyphenyl)methylideneamino]urea
PubChem CID5052012
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name[(2,5-dihydroxyphenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(O)ccc1O
InChIInChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-3-6(12)1-2-7(5)13/h1-4,12-13H,(H3,9,11,14)
InChIKeyVKOFPWDMYSJIFA-UHFFFAOYSA-N
XLogP0.10
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2,5-dihydroxyphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068
[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea
CID 136506570
[[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
CID 168533127
[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
CID 135698985
[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
CID 137026944
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(6-hydroxynaphthalen-2-yl)methylideneamino]urea
CID 168531736
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680

Frequently Asked Questions

What is the IUPAC name of [(2,5-dihydroxyphenyl)methylideneamino]urea?
The IUPAC name of [(2,5-dihydroxyphenyl)methylideneamino]urea (CID 5052012) is [(2,5-dihydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(2,5-dihydroxyphenyl)methylideneamino]urea?
The canonical SMILES for [(2,5-dihydroxyphenyl)methylideneamino]urea is NC(=O)NN=Cc1cc(O)ccc1O.
What is the InChIKey of [(2,5-dihydroxyphenyl)methylideneamino]urea?
The InChIKey is VKOFPWDMYSJIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-8(14)11-10-4-5-3-6(12)1-2-7(5)13/h1-4,12-13H,(H3,9,11,14).
What are the key properties of [(2,5-dihydroxyphenyl)methylideneamino]urea?
[(2,5-dihydroxyphenyl)methylideneamino]urea has a molecular weight of 195.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dihydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5052012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).