sodium 4,6-dimethoxy-1,3,5-triazin-2-olate

C5H6N3NaO3 — CID 70409919

IUPACsodium 4,6-dimethoxy-1,3,5-triazin-2-olate
SMILESCOc1nc([O-])nc(OC)n1.[Na+]
InChIInChI=1S/C5H7N3O3.Na/c1-10-4-6-3(9)7-5(8-4)11-2;/h1-2H3,(H,6,7,8,9);/q;+1/p-1
InChIKeyAKOIKQBZODAHDI-UHFFFAOYSA-M
MW179.11 g/mol
LogP-4.03
Rot. Bonds2

About sodium 4,6-dimethoxy-1,3,5-triazin-2-olate

sodium 4,6-dimethoxy-1,3,5-triazin-2-olate (PubChem CID 70409919) has the molecular formula C5H6N3NaO3 and a molecular weight of 179.11 g/mol. Its IUPAC name is sodium 4,6-dimethoxy-1,3,5-triazin-2-olate.

Molecular Properties

Compound Namesodium 4,6-dimethoxy-1,3,5-triazin-2-olate
PubChem CID70409919
Molecular FormulaC5H6N3NaO3
Molecular Weight179.11 g/mol
Exact Mass179.03
IUPAC Namesodium 4,6-dimethoxy-1,3,5-triazin-2-olate
SMILESCOc1nc([O-])nc(OC)n1.[Na+]
InChIInChI=1S/C5H7N3O3.Na/c1-10-4-6-3(9)7-5(8-4)11-2;/h1-2H3,(H,6,7,8,9);/q;+1/p-1
InChIKeyAKOIKQBZODAHDI-UHFFFAOYSA-M
XLogP-4.03
TPSA80.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.11
LogP ≤ 5-4.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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 sodium 4,6-dimethoxy-1,3,5-triazin-2-olate?
The IUPAC name of sodium 4,6-dimethoxy-1,3,5-triazin-2-olate (CID 70409919) is sodium 4,6-dimethoxy-1,3,5-triazin-2-olate.
What is the SMILES notation for sodium 4,6-dimethoxy-1,3,5-triazin-2-olate?
The canonical SMILES for sodium 4,6-dimethoxy-1,3,5-triazin-2-olate is COc1nc([O-])nc(OC)n1.[Na+].
What is the InChIKey of sodium 4,6-dimethoxy-1,3,5-triazin-2-olate?
The InChIKey is AKOIKQBZODAHDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7N3O3.Na/c1-10-4-6-3(9)7-5(8-4)11-2;/h1-2H3,(H,6,7,8,9);/q;+1/p-1.
What are the key properties of sodium 4,6-dimethoxy-1,3,5-triazin-2-olate?
sodium 4,6-dimethoxy-1,3,5-triazin-2-olate has a molecular weight of 179.11 g/mol, XLogP of -4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4,6-dimethoxy-1,3,5-triazin-2-olate is sourced from PubChem (CID 70409919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).