diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide

C4H6N10O6 — CID 139255625

IUPACdiaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide
SMILESNC(N)=[NH2+].O=[N+]([O-])[N-]c1nc([N+](=O)[O-])nc([N+](=O)[O-])n1
InChIInChI=1S/C3N7O6.CH5N3/c11-8(12)2-4-1(7-10(15)16)5-3(6-2)9(13)14;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1
InChIKeyKWAQXCOYNNJJTK-UHFFFAOYSA-O
MW290.16 g/mol
LogP-3.10
Rot. Bonds4

About diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide

diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide (PubChem CID 139255625) has the molecular formula C4H6N10O6 and a molecular weight of 290.16 g/mol. Its IUPAC name is diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide.

Molecular Properties

Compound Namediaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide
PubChem CID139255625
Molecular FormulaC4H6N10O6
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Namediaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide
SMILESNC(N)=[NH2+].O=[N+]([O-])[N-]c1nc([N+](=O)[O-])nc([N+](=O)[O-])n1
InChIInChI=1S/C3N7O6.CH5N3/c11-8(12)2-4-1(7-10(15)16)5-3(6-2)9(13)14;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1
InChIKeyKWAQXCOYNNJJTK-UHFFFAOYSA-O
XLogP-3.10
TPSA259.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 5-3.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide?
The IUPAC name of diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide (CID 139255625) is diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide.
What is the SMILES notation for diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide?
The canonical SMILES for diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide is NC(N)=[NH2+].O=[N+]([O-])[N-]c1nc([N+](=O)[O-])nc([N+](=O)[O-])n1.
What is the InChIKey of diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide?
The InChIKey is KWAQXCOYNNJJTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3N7O6.CH5N3/c11-8(12)2-4-1(7-10(15)16)5-3(6-2)9(13)14;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1.
What are the key properties of diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide?
diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide has a molecular weight of 290.16 g/mol, XLogP of -3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide is sourced from PubChem (CID 139255625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).