[(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea

C12H16N6O2 — CID 135052018

IUPAC[(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea
SMILESCC(=N/NC(N)=O)/C(=N\NC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N6O2/c1-7-3-5-9(6-4-7)10(16-18-12(14)20)8(2)15-17-11(13)19/h3-6H,1-2H3,(H3,13,17,19)(H3,14,18,20)/b15-8-,16-10+
InChIKeyRAUVNGJUUPCGIF-JLZGHWJTSA-N
MW276.30 g/mol
LogP0.41
Rot. Bonds4

About [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea

[(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea (PubChem CID 135052018) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea
PubChem CID135052018
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name[(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea
SMILESCC(=N/NC(N)=O)/C(=N\NC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N6O2/c1-7-3-5-9(6-4-7)10(16-18-12(14)20)8(2)15-17-11(13)19/h3-6H,1-2H3,(H3,13,17,19)(H3,14,18,20)/b15-8-,16-10+
InChIKeyRAUVNGJUUPCGIF-JLZGHWJTSA-N
XLogP0.41
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[(1Z)-1-(4-bromophenyl)-1-(carbamoylhydrazinylidene)propan-2-ylidene]amino]urea
CID 135052102
[(E)-[1-(4-methylanilino)-1-sulfanylidenepropan-2-ylidene]amino]urea
CID 95240430
3-[[1-(diethylcarbamothioylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]-1,1-diethylthiourea
CID 160778161
[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea
CID 71406398
(3-hydroxyiminobutan-2-ylideneamino)urea
CID 137209965
[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
CID 6056563
4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea?
The IUPAC name of [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea (CID 135052018) is [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea.
What is the SMILES notation for [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea?
The canonical SMILES for [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea is CC(=N/NC(N)=O)/C(=N\NC(N)=O)c1ccc(C)cc1.
What is the InChIKey of [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea?
The InChIKey is RAUVNGJUUPCGIF-JLZGHWJTSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7-3-5-9(6-4-7)10(16-18-12(14)20)8(2)15-17-11(13)19/h3-6H,1-2H3,(H3,13,17,19)(H3,14,18,20)/b15-8-,16-10+.
What are the key properties of [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea?
[(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea has a molecular weight of 276.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(1Z)-1-(carbamoylhydrazinylidene)-1-(4-methylphenyl)propan-2-ylidene]amino]urea is sourced from PubChem (CID 135052018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).