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

C9H14KN3O3 — CID 23671964

IUPACpotassium 4,6-dipropoxy-1,3,5-triazin-2-olate
SMILESCCCOc1nc([O-])nc(OCCC)n1.[K+]
InChIInChI=1S/C9H15N3O3.K/c1-3-5-14-8-10-7(13)11-9(12-8)15-6-4-2;/h3-6H2,1-2H3,(H,10,11,12,13);/q;+1/p-1
InChIKeyZJDZVHCWAOQKOF-UHFFFAOYSA-M
MW251.33 g/mol
LogP-2.47
Rot. Bonds6

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

potassium 4,6-dipropoxy-1,3,5-triazin-2-olate (PubChem CID 23671964) has the molecular formula C9H14KN3O3 and a molecular weight of 251.33 g/mol. Its IUPAC name is potassium 4,6-dipropoxy-1,3,5-triazin-2-olate.

Molecular Properties

Compound Namepotassium 4,6-dipropoxy-1,3,5-triazin-2-olate
PubChem CID23671964
Molecular FormulaC9H14KN3O3
Molecular Weight251.33 g/mol
Exact Mass251.07
IUPAC Namepotassium 4,6-dipropoxy-1,3,5-triazin-2-olate
SMILESCCCOc1nc([O-])nc(OCCC)n1.[K+]
InChIInChI=1S/C9H15N3O3.K/c1-3-5-14-8-10-7(13)11-9(12-8)15-6-4-2;/h3-6H2,1-2H3,(H,10,11,12,13);/q;+1/p-1
InChIKeyZJDZVHCWAOQKOF-UHFFFAOYSA-M
XLogP-2.47
TPSA80.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 4,6-dipropoxy-1,3,5-triazin-2-olate?
The IUPAC name of potassium 4,6-dipropoxy-1,3,5-triazin-2-olate (CID 23671964) is potassium 4,6-dipropoxy-1,3,5-triazin-2-olate.
What is the SMILES notation for potassium 4,6-dipropoxy-1,3,5-triazin-2-olate?
The canonical SMILES for potassium 4,6-dipropoxy-1,3,5-triazin-2-olate is CCCOc1nc([O-])nc(OCCC)n1.[K+].
What is the InChIKey of potassium 4,6-dipropoxy-1,3,5-triazin-2-olate?
The InChIKey is ZJDZVHCWAOQKOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N3O3.K/c1-3-5-14-8-10-7(13)11-9(12-8)15-6-4-2;/h3-6H2,1-2H3,(H,10,11,12,13);/q;+1/p-1.
What are the key properties of potassium 4,6-dipropoxy-1,3,5-triazin-2-olate?
potassium 4,6-dipropoxy-1,3,5-triazin-2-olate has a molecular weight of 251.33 g/mol, XLogP of -2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4,6-dipropoxy-1,3,5-triazin-2-olate is sourced from PubChem (CID 23671964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).