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

C5H6N3O3- — CID 86306186

IUPAC4,6-dimethoxy-1,3,5-triazin-2-olate
SMILESCOc1nc([O-])nc(OC)n1
InChIInChI=1S/C5H7N3O3/c1-10-4-6-3(9)7-5(8-4)11-2/h1-2H3,(H,6,7,8,9)/p-1
InChIKeyABWQLBWYPYHBHW-UHFFFAOYSA-M
MW156.12 g/mol
LogP-1.04
Rot. Bonds2

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

4,6-dimethoxy-1,3,5-triazin-2-olate (PubChem CID 86306186) has the molecular formula C5H6N3O3- and a molecular weight of 156.12 g/mol. Its IUPAC name is 4,6-dimethoxy-1,3,5-triazin-2-olate.

Molecular Properties

Compound Name4,6-dimethoxy-1,3,5-triazin-2-olate
PubChem CID86306186
Molecular FormulaC5H6N3O3-
Molecular Weight156.12 g/mol
Exact Mass156.04
IUPAC Name4,6-dimethoxy-1,3,5-triazin-2-olate
SMILESCOc1nc([O-])nc(OC)n1
InChIInChI=1S/C5H7N3O3/c1-10-4-6-3(9)7-5(8-4)11-2/h1-2H3,(H,6,7,8,9)/p-1
InChIKeyABWQLBWYPYHBHW-UHFFFAOYSA-M
XLogP-1.04
TPSA80.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 5-1.04
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
2,4-Dichloro-6-methoxy-3,5-triazine
CID 19267
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
2,4-Dimethoxy-1,3,5-triazine
CID 243963
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
2,4-Difluoro-6-methoxy-1,3,5-triazine
CID 15010385
2-Dimethylamino-4,6-dimethoxy-s-triazine
CID 12525922
Potassium 4,6-dimethoxy-1,3,5-triazin-2-olate
CID 23671963

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1,3,5-triazin-2-olate?
The IUPAC name of 4,6-dimethoxy-1,3,5-triazin-2-olate (CID 86306186) is 4,6-dimethoxy-1,3,5-triazin-2-olate.
What is the SMILES notation for 4,6-dimethoxy-1,3,5-triazin-2-olate?
The canonical SMILES for 4,6-dimethoxy-1,3,5-triazin-2-olate is COc1nc([O-])nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-1,3,5-triazin-2-olate?
The InChIKey is ABWQLBWYPYHBHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7N3O3/c1-10-4-6-3(9)7-5(8-4)11-2/h1-2H3,(H,6,7,8,9)/p-1.
What are the key properties of 4,6-dimethoxy-1,3,5-triazin-2-olate?
4,6-dimethoxy-1,3,5-triazin-2-olate has a molecular weight of 156.12 g/mol, XLogP of -1.04, 2 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-olate is sourced from PubChem (CID 86306186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).