diphenyldiazene;urea

C13H14N4O — CID 175083568

IUPACdiphenyldiazene;urea
SMILESNC(N)=O.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.CH4N2O/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2-1(3)4/h1-10H;(H4,2,3,4)/b14-13+;
InChIKeyKGAXFWXWEUODPV-IERUDJENSA-N
MW242.28 g/mol
LogP3.13
Rot. Bonds2

About diphenyldiazene;urea

diphenyldiazene;urea (PubChem CID 175083568) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is diphenyldiazene;urea.

Molecular Properties

Compound Namediphenyldiazene;urea
PubChem CID175083568
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Namediphenyldiazene;urea
SMILESNC(N)=O.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.CH4N2O/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2-1(3)4/h1-10H;(H4,2,3,4)/b14-13+;
InChIKeyKGAXFWXWEUODPV-IERUDJENSA-N
XLogP3.13
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze diphenyldiazene;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

2-phenyldiazenylbenzamide
CID 3752866
diphenyldiazene;hydrofluoride
CID 174857584
4-phenyldiazenylbenzoic acid
CID 15276
bis(diphenyldiazene);uranium;vanadium
CID 158886927
diphenyldiazene;oxalonitrile
CID 174439181
carboxy-(4-phenyldiazenylphenyl)carbamic acid
CID 175154168
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
3-phenyldiazenylbenzoic acid
CID 555783
sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide
CID 173441776
3,5-diamino-2,4-bis(phenyldiazenyl)-6-[(4-phenyldiazenylphenyl)diazenyl]benzoic acid
CID 89254790
(2R)-2-cyano-2-phenyldiazenylacetamide
CID 98111479

Frequently Asked Questions

What is the IUPAC name of diphenyldiazene;urea?
The IUPAC name of diphenyldiazene;urea (CID 175083568) is diphenyldiazene;urea.
What is the SMILES notation for diphenyldiazene;urea?
The canonical SMILES for diphenyldiazene;urea is NC(N)=O.c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of diphenyldiazene;urea?
The InChIKey is KGAXFWXWEUODPV-IERUDJENSA-N. The full InChI is InChI=1S/C12H10N2.CH4N2O/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2-1(3)4/h1-10H;(H4,2,3,4)/b14-13+;.
What are the key properties of diphenyldiazene;urea?
diphenyldiazene;urea has a molecular weight of 242.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyldiazene;urea is sourced from PubChem (CID 175083568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).