potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate

C4H4KN3O5 — CID 46782653

IUPACpotassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate
SMILESO.O=C([O-])c1[15n][13c](=O)[15nH][13c](=O)[15nH]1.[K+]
InChIInChI=1S/C4H3N3O4.K.H2O/c8-2(9)1-5-3(10)7-4(11)6-1;;/h(H,8,9)(H2,5,6,7,10,11);;1H2/q;+1;/p-1/i3+1,4+1,5+1,6+1,7+1;;
InChIKeyKAISPCXZDYMVOB-YKHLTIOGSA-M
MW218.15 g/mol
LogP-7.00
Rot. Bonds1

About potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate

potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate (PubChem CID 46782653) has the molecular formula C4H4KN3O5 and a molecular weight of 218.15 g/mol. Its IUPAC name is potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate.

Molecular Properties

Compound Namepotassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate
PubChem CID46782653
Molecular FormulaC4H4KN3O5
Molecular Weight218.15 g/mol
Exact Mass217.98
IUPAC Namepotassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate
SMILESO.O=C([O-])c1[15n][13c](=O)[15nH][13c](=O)[15nH]1.[K+]
InChIInChI=1S/C4H3N3O4.K.H2O/c8-2(9)1-5-3(10)7-4(11)6-1;;/h(H,8,9)(H2,5,6,7,10,11);;1H2/q;+1;/p-1/i3+1,4+1,5+1,6+1,7+1;;
InChIKeyKAISPCXZDYMVOB-YKHLTIOGSA-M
XLogP-7.00
TPSA150.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 5-7.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate?
The IUPAC name of potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate (CID 46782653) is potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate.
What is the SMILES notation for potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate?
The canonical SMILES for potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate is O.O=C([O-])c1[15n][13c](=O)[15nH][13c](=O)[15nH]1.[K+].
What is the InChIKey of potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate?
The InChIKey is KAISPCXZDYMVOB-YKHLTIOGSA-M. The full InChI is InChI=1S/C4H3N3O4.K.H2O/c8-2(9)1-5-3(10)7-4(11)6-1;;/h(H,8,9)(H2,5,6,7,10,11);;1H2/q;+1;/p-1/i3+1,4+1,5+1,6+1,7+1;;.
What are the key properties of potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate?
potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate has a molecular weight of 218.15 g/mol, XLogP of -7.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylate;hydrate is sourced from PubChem (CID 46782653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).