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

C11H9N5O4 — CID 135503320

IUPAC6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione
SMILESNN=C1NC(=O)NC(=O)C1=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O4/c12-15-9-8(10(17)14-11(18)13-9)5-6-2-1-3-7(4-6)16(19)20/h1-5H,12H2,(H2,13,14,15,17,18)
InChIKeyCHXGWBODYFINCM-UHFFFAOYSA-N
MW275.22 g/mol
LogP0.09
Rot. Bonds2

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

6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione (PubChem CID 135503320) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione
PubChem CID135503320
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Name6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione
SMILESNN=C1NC(=O)NC(=O)C1=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O4/c12-15-9-8(10(17)14-11(18)13-9)5-6-2-1-3-7(4-6)16(19)20/h1-5H,12H2,(H2,13,14,15,17,18)
InChIKeyCHXGWBODYFINCM-UHFFFAOYSA-N
XLogP0.09
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 5467828
4-[(3-nitrophenyl)methylidene]isoquinoline-1,3-dione
CID 91942073
2-[(3-nitrophenyl)methylidene]cycloheptane-1,3-dione
CID 21436724
5-[[3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2749374
(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
CID 135784382
1-(4-bromophenyl)-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2880215
2,3-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 164714424
(5E)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1241126
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(5Z)-1-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 171982130
(NE)-4-methyl-N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 171982869
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione (CID 135503320) is 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione is NN=C1NC(=O)NC(=O)C1=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione?
The InChIKey is CHXGWBODYFINCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4/c12-15-9-8(10(17)14-11(18)13-9)5-6-2-1-3-7(4-6)16(19)20/h1-5H,12H2,(H2,13,14,15,17,18).
What are the key properties of 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione?
6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione has a molecular weight of 275.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinylidene-5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 135503320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).