molecular iodine;2,4,6-trimethoxy-1,3,5-triazine

C6H9I2N3O3 — CID 159174183

IUPACmolecular iodine;2,4,6-trimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(OC)n1.II
InChIInChI=1S/C6H9N3O3.I2/c1-10-4-7-5(11-2)9-6(8-4)12-3;1-2/h1-3H3;
InChIKeyKMBMXWHZYZTILT-UHFFFAOYSA-N
MW424.96 g/mol
LogP1.67
Rot. Bonds3

About molecular iodine;2,4,6-trimethoxy-1,3,5-triazine

molecular iodine;2,4,6-trimethoxy-1,3,5-triazine (PubChem CID 159174183) has the molecular formula C6H9I2N3O3 and a molecular weight of 424.96 g/mol. Its IUPAC name is molecular iodine;2,4,6-trimethoxy-1,3,5-triazine.

Molecular Properties

Compound Namemolecular iodine;2,4,6-trimethoxy-1,3,5-triazine
PubChem CID159174183
Molecular FormulaC6H9I2N3O3
Molecular Weight424.96 g/mol
Exact Mass424.87
IUPAC Namemolecular iodine;2,4,6-trimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(OC)n1.II
InChIInChI=1S/C6H9N3O3.I2/c1-10-4-7-5(11-2)9-6(8-4)12-3;1-2/h1-3H3;
InChIKeyKMBMXWHZYZTILT-UHFFFAOYSA-N
XLogP1.67
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.96
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-4,6-dimethoxy-1,3,5-triazine
CID 18450
2,4,6-Trimethoxy-1,3,5-triazine
CID 13419
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
2-Azido-4,6-dimethoxy-1,3,5-triazine
CID 35499
1-Fluoro-2,4,6-trimethoxy-1,3,5-triazin-1-ium
CID 17827063
2-Fluoro-4,6-dimethoxy-1,3,5-triazine
CID 150249762
2-Dimethylamino-4,6-dimethoxy-s-triazine
CID 12525922
Potassium 4,6-dimethoxy-1,3,5-triazin-2-olate
CID 23671963
(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxyboronic acid
CID 134954843
2-Iodo-4,6-dimethoxy-1,3,5-triazine
CID 13781787
2,4,6-Trimethoxy-1-oxido-1,3,5-triazin-1-ium
CID 19901967
2-Bromo-4,6-dimethoxy-1,3,5-triazine
CID 21549795

Frequently Asked Questions

What is the IUPAC name of molecular iodine;2,4,6-trimethoxy-1,3,5-triazine?
The IUPAC name of molecular iodine;2,4,6-trimethoxy-1,3,5-triazine (CID 159174183) is molecular iodine;2,4,6-trimethoxy-1,3,5-triazine.
What is the SMILES notation for molecular iodine;2,4,6-trimethoxy-1,3,5-triazine?
The canonical SMILES for molecular iodine;2,4,6-trimethoxy-1,3,5-triazine is COc1nc(OC)nc(OC)n1.II.
What is the InChIKey of molecular iodine;2,4,6-trimethoxy-1,3,5-triazine?
The InChIKey is KMBMXWHZYZTILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3.I2/c1-10-4-7-5(11-2)9-6(8-4)12-3;1-2/h1-3H3;.
What are the key properties of molecular iodine;2,4,6-trimethoxy-1,3,5-triazine?
molecular iodine;2,4,6-trimethoxy-1,3,5-triazine has a molecular weight of 424.96 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;2,4,6-trimethoxy-1,3,5-triazine is sourced from PubChem (CID 159174183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).