potassium 4,6-diethoxy-1,3,5-triazin-2-olate

C7H10KN3O3 — CID 23671962

IUPACpotassium 4,6-diethoxy-1,3,5-triazin-2-olate
SMILESCCOc1nc([O-])nc(OCC)n1.[K+]
InChIInChI=1S/C7H11N3O3.K/c1-3-12-6-8-5(11)9-7(10-6)13-4-2;/h3-4H2,1-2H3,(H,8,9,10,11);/q;+1/p-1
InChIKeyVNSCQCSQAYVTHO-UHFFFAOYSA-M
MW223.27 g/mol
LogP-3.25
Rot. Bonds4

About potassium 4,6-diethoxy-1,3,5-triazin-2-olate

potassium 4,6-diethoxy-1,3,5-triazin-2-olate (PubChem CID 23671962) has the molecular formula C7H10KN3O3 and a molecular weight of 223.27 g/mol. Its IUPAC name is potassium 4,6-diethoxy-1,3,5-triazin-2-olate.

Molecular Properties

Compound Namepotassium 4,6-diethoxy-1,3,5-triazin-2-olate
PubChem CID23671962
Molecular FormulaC7H10KN3O3
Molecular Weight223.27 g/mol
Exact Mass223.04
IUPAC Namepotassium 4,6-diethoxy-1,3,5-triazin-2-olate
SMILESCCOc1nc([O-])nc(OCC)n1.[K+]
InChIInChI=1S/C7H11N3O3.K/c1-3-12-6-8-5(11)9-7(10-6)13-4-2;/h3-4H2,1-2H3,(H,8,9,10,11);/q;+1/p-1
InChIKeyVNSCQCSQAYVTHO-UHFFFAOYSA-M
XLogP-3.25
TPSA80.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
2,4,6-Trimethoxy-1,3,5-triazine
CID 13419
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
2,4-Diethoxy-1,3,5-triazine
CID 20062262
Potassium 4,6-dimethoxy-1,3,5-triazin-2-olate
CID 23671963
2-Chloro-4,6-di-(2-methoxyethoxy)-1,3,5-triazine
CID 85702124
2,4-Dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine
CID 11970432
2-(2-Ethoxyethoxy)-4,6-difluoro-1,3,5-triazine
CID 20403081

Frequently Asked Questions

What is the IUPAC name of potassium 4,6-diethoxy-1,3,5-triazin-2-olate?
The IUPAC name of potassium 4,6-diethoxy-1,3,5-triazin-2-olate (CID 23671962) is potassium 4,6-diethoxy-1,3,5-triazin-2-olate.
What is the SMILES notation for potassium 4,6-diethoxy-1,3,5-triazin-2-olate?
The canonical SMILES for potassium 4,6-diethoxy-1,3,5-triazin-2-olate is CCOc1nc([O-])nc(OCC)n1.[K+].
What is the InChIKey of potassium 4,6-diethoxy-1,3,5-triazin-2-olate?
The InChIKey is VNSCQCSQAYVTHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N3O3.K/c1-3-12-6-8-5(11)9-7(10-6)13-4-2;/h3-4H2,1-2H3,(H,8,9,10,11);/q;+1/p-1.
What are the key properties of potassium 4,6-diethoxy-1,3,5-triazin-2-olate?
potassium 4,6-diethoxy-1,3,5-triazin-2-olate has a molecular weight of 223.27 g/mol, XLogP of -3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4,6-diethoxy-1,3,5-triazin-2-olate is sourced from PubChem (CID 23671962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).