1-anilino-3-hydroxyurea

C7H9N3O2 — CID 2763972

IUPAC1-anilino-3-hydroxyurea
SMILESO=C(NO)NNc1ccccc1
InChIInChI=1S/C7H9N3O2/c11-7(10-12)9-8-6-4-2-1-3-5-6/h1-5,8,12H,(H2,9,10,11)
InChIKeyCGKLKQXBEOQILJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.70
Rot. Bonds2

About 1-anilino-3-hydroxyurea

1-anilino-3-hydroxyurea (PubChem CID 2763972) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-anilino-3-hydroxyurea.

Molecular Properties

Compound Name1-anilino-3-hydroxyurea
PubChem CID2763972
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-anilino-3-hydroxyurea
SMILESO=C(NO)NNc1ccccc1
InChIInChI=1S/C7H9N3O2/c11-7(10-12)9-8-6-4-2-1-3-5-6/h1-5,8,12H,(H2,9,10,11)
InChIKeyCGKLKQXBEOQILJ-UHFFFAOYSA-N
XLogP0.70
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-anilino-3-methylurea;ethane
CID 143768639
1-anilino-3-tert-butylurea
CID 12537941
1-anilino-3-ethylurea
CID 67472651
1,3-bis(2-phenylhydrazinyl)urea
CID 151828503
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
N-anilinocarbamoyl chloride
CID 57449233
1-anilino-3-(2-oxoethyl)urea
CID 54004429
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-anilino-3-pyridin-3-ylurea
CID 47127655
N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide
CID 88714203
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
CID 174791706
N'-phenylprop-2-enehydrazide
CID 21179187

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-hydroxyurea?
The IUPAC name of 1-anilino-3-hydroxyurea (CID 2763972) is 1-anilino-3-hydroxyurea.
What is the SMILES notation for 1-anilino-3-hydroxyurea?
The canonical SMILES for 1-anilino-3-hydroxyurea is O=C(NO)NNc1ccccc1.
What is the InChIKey of 1-anilino-3-hydroxyurea?
The InChIKey is CGKLKQXBEOQILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7(10-12)9-8-6-4-2-1-3-5-6/h1-5,8,12H,(H2,9,10,11).
What are the key properties of 1-anilino-3-hydroxyurea?
1-anilino-3-hydroxyurea has a molecular weight of 167.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-hydroxyurea is sourced from PubChem (CID 2763972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).