2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine

C6H8N8O6 — CID 12064090

IUPAC2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC)nc(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])n1
InChIInChI=1S/C6H8N8O6/c1-7-4-9-3(10-5(8-2)11-4)6(12(15)16,13(17)18)14(19)20/h1-2H3,(H2,7,8,9,10,11)
InChIKeyZECKRLXIARADGW-UHFFFAOYSA-N
MW288.18 g/mol
LogP-1.10
Rot. Bonds6

About 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 12064090) has the molecular formula C6H8N8O6 and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID12064090
Molecular FormulaC6H8N8O6
Molecular Weight288.18 g/mol
Exact Mass288.06
IUPAC Name2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC)nc(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])n1
InChIInChI=1S/C6H8N8O6/c1-7-4-9-3(10-5(8-2)11-4)6(12(15)16,13(17)18)14(19)20/h1-2H3,(H2,7,8,9,10,11)
InChIKeyZECKRLXIARADGW-UHFFFAOYSA-N
XLogP-1.10
TPSA192.15 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4,6-bis(trinitromethyl)-1,3,5-triazin-2-amine
CID 12062841
2,4-Diamino-6-trinitromethyl-1,3,5-triazine
CID 15184527
2-Dimethylamino-4,6-bis(trinitromethyl)-1,3,5-triazine
CID 15184529
2,4-Bis(dimethylamino)-6-trinitromethyl-1,3,5-triazine
CID 12062842
2-Dimethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine
CID 12062843
4-Azido-N,N-dimethyl-6-(trinitromethyl)-1,3,5-triazin-2-amine
CID 12190338
2-Methoxy-4-(2'-aminoethyl-amino)-6-dinitromethyl-1,3,5-triazine
CID 129762562
2,4-Diamino-6-dinitromethyl-1,3,5-triazine
CID 129771892
N-hydroxy-1-[4-[[hydroxy(oxido)azaniumyl]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methanamine oxide
CID 163157056
N-[[4-[[hydroxy(oxido)amino]methyl]-6-(methylamino)-1,3,5-triazin-2-yl]methyl]-N-oxidohydroxylamine
CID 163157057

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine (CID 12064090) is 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(NC)nc(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZECKRLXIARADGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8O6/c1-7-4-9-3(10-5(8-2)11-4)6(12(15)16,13(17)18)14(19)20/h1-2H3,(H2,7,8,9,10,11).
What are the key properties of 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 288.18 g/mol, XLogP of -1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-(trinitromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12064090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).