(4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite

C5H6IN3O3 — CID 146742073

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite
SMILESCOc1nc(OC)nc(OI)n1
InChIInChI=1S/C5H6IN3O3/c1-10-3-7-4(11-2)9-5(8-3)12-6/h1-2H3
InChIKeyRLAAOXQUYAMKMH-UHFFFAOYSA-N
MW283.03 g/mol
LogP0.62
Rot. Bonds3

About (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite

(4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite (PubChem CID 146742073) has the molecular formula C5H6IN3O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite
PubChem CID146742073
Molecular FormulaC5H6IN3O3
Molecular Weight283.03 g/mol
Exact Mass282.95
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite
SMILESCOc1nc(OC)nc(OI)n1
InChIInChI=1S/C5H6IN3O3/c1-10-3-7-4(11-2)9-5(8-3)12-6/h1-2H3
InChIKeyRLAAOXQUYAMKMH-UHFFFAOYSA-N
XLogP0.62
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.03
LogP ≤ 50.62
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
6-Methoxyguanamine
CID 17803
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
2,4-Dimethoxy-6-(trifluoromethoxy)-1,3,5-triazine
CID 140232291
4,6-Dimethoxy-2-nitroso-sym-triazine
CID 129793598
(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxyboronic acid
CID 134954843

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite (CID 146742073) is (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite is COc1nc(OC)nc(OI)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite?
The InChIKey is RLAAOXQUYAMKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O3/c1-10-3-7-4(11-2)9-5(8-3)12-6/h1-2H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite?
(4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite has a molecular weight of 283.03 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) hypoiodite is sourced from PubChem (CID 146742073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).