1,3-bis(2-phenylhydrazinyl)urea

C13H16N6O — CID 151828503

IUPAC1,3-bis(2-phenylhydrazinyl)urea
SMILESO=C(NNNc1ccccc1)NNNc1ccccc1
InChIInChI=1S/C13H16N6O/c20-13(16-18-14-11-7-3-1-4-8-11)17-19-15-12-9-5-2-6-10-12/h1-10,14-15,18-19H,(H2,16,17,20)
InChIKeySEDMHJYPCCBSJB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.35
Rot. Bonds6

About 1,3-bis(2-phenylhydrazinyl)urea

1,3-bis(2-phenylhydrazinyl)urea (PubChem CID 151828503) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1,3-bis(2-phenylhydrazinyl)urea.

Molecular Properties

Compound Name1,3-bis(2-phenylhydrazinyl)urea
PubChem CID151828503
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1,3-bis(2-phenylhydrazinyl)urea
SMILESO=C(NNNc1ccccc1)NNNc1ccccc1
InChIInChI=1S/C13H16N6O/c20-13(16-18-14-11-7-3-1-4-8-11)17-19-15-12-9-5-2-6-10-12/h1-10,14-15,18-19H,(H2,16,17,20)
InChIKeySEDMHJYPCCBSJB-UHFFFAOYSA-N
XLogP1.35
TPSA89.25 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.31
LogP ≤ 51.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-anilino-3-hydroxyurea
CID 2763972
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
1,2-diphenylhydrazine;hydrobromide
CID 162337860
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
N-anilinocarbamoyl chloride
CID 57449233
1-anilino-3-methylurea;ethane
CID 143768639
1,2-diphenylhydrazine;hydrazine
CID 161098943
1-anilino-3-tert-butylurea
CID 12537941
1-anilino-3-ethylurea
CID 67472651
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 1,3-bis(2-phenylhydrazinyl)urea?
The IUPAC name of 1,3-bis(2-phenylhydrazinyl)urea (CID 151828503) is 1,3-bis(2-phenylhydrazinyl)urea.
What is the SMILES notation for 1,3-bis(2-phenylhydrazinyl)urea?
The canonical SMILES for 1,3-bis(2-phenylhydrazinyl)urea is O=C(NNNc1ccccc1)NNNc1ccccc1.
What is the InChIKey of 1,3-bis(2-phenylhydrazinyl)urea?
The InChIKey is SEDMHJYPCCBSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(16-18-14-11-7-3-1-4-8-11)17-19-15-12-9-5-2-6-10-12/h1-10,14-15,18-19H,(H2,16,17,20).
What are the key properties of 1,3-bis(2-phenylhydrazinyl)urea?
1,3-bis(2-phenylhydrazinyl)urea has a molecular weight of 272.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-phenylhydrazinyl)urea is sourced from PubChem (CID 151828503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).