(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione

C13H15N5O2 — CID 135784382

IUPAC(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
SMILESCN(C)c1ccc(C=C2C(=O)NC(=O)N/C2=N\N)cc1
InChIInChI=1S/C13H15N5O2/c1-18(2)9-5-3-8(4-6-9)7-10-11(17-14)15-13(20)16-12(10)19/h3-7H,14H2,1-2H3,(H2,15,16,17,19,20)
InChIKeyHSFZBJKESCNCBX-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.25
Rot. Bonds2

About (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione

(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione (PubChem CID 135784382) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
PubChem CID135784382
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
SMILESCN(C)c1ccc(C=C2C(=O)NC(=O)N/C2=N\N)cc1
InChIInChI=1S/C13H15N5O2/c1-18(2)9-5-3-8(4-6-9)7-10-11(17-14)15-13(20)16-12(10)19/h3-7H,14H2,1-2H3,(H2,15,16,17,19,20)
InChIKeyHSFZBJKESCNCBX-UHFFFAOYSA-N
XLogP0.25
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E,6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
CID 136646629
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione
CID 135503320
5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione
CID 24862866
5-[[4-(dimethylamino)phenyl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 890668
1-(4-bromophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 5009664
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 70294018
(15E,28Z)-15,28-bis[[4-(dimethylamino)phenyl]methylidene]-1,4,7,10,13,17,20,23,26-nonaoxacyclononacosane-14,16,27,29-tetrone
CID 11285627
5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2829176
4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenyl-1H-pyrrole-3-carbonitrile
CID 139958454
2-[[5-[[4-(dimethylamino)phenyl]methylidene]-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 3738146

Frequently Asked Questions

What is the IUPAC name of (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The IUPAC name of (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione (CID 135784382) is (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione is CN(C)c1ccc(C=C2C(=O)NC(=O)N/C2=N\N)cc1.
What is the InChIKey of (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The InChIKey is HSFZBJKESCNCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-18(2)9-5-3-8(4-6-9)7-10-11(17-14)15-13(20)16-12(10)19/h3-7H,14H2,1-2H3,(H2,15,16,17,19,20).
What are the key properties of (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione?
(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione has a molecular weight of 273.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 135784382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).