potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate

C4H2KN3O4 — CID 2723920

IUPACpotassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
SMILESO=C([O-])c1nc(=O)[nH]c(=O)[nH]1.[K+]
InChIInChI=1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1
InChIKeyIAPCTXZQXAVYNG-UHFFFAOYSA-M
MW195.17 g/mol
LogP-6.17
Rot. Bonds1

About potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate

potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate (PubChem CID 2723920) has the molecular formula C4H2KN3O4 and a molecular weight of 195.17 g/mol. Its IUPAC name is potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Namepotassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
PubChem CID2723920
Molecular FormulaC4H2KN3O4
Molecular Weight195.17 g/mol
Exact Mass194.97
IUPAC Namepotassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
SMILESO=C([O-])c1nc(=O)[nH]c(=O)[nH]1.[K+]
InChIInChI=1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1
InChIKeyIAPCTXZQXAVYNG-UHFFFAOYSA-M
XLogP-6.17
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-6.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Oteracil
CID 4604
4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 3748774
Oxonate
CID 24183644
Oxonic acid potassium salt, 97%
CID 24206406
Monosodium 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylate
CID 23663424
2,6-Dihydroxytriazinecarboxylate
CID 25201614
Sodium 5-azaorotate
CID 54598356
4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid;hydrate
CID 141327896
methyl 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 144311129
potassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid;hydride
CID 173141373
CID 24187963
CID 24187963
Oxonic Acid-13C2,15N3 Potassium Salt Hydrate
CID 46782653

Frequently Asked Questions

What is the IUPAC name of potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The IUPAC name of potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate (CID 2723920) is potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The canonical SMILES for potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate is O=C([O-])c1nc(=O)[nH]c(=O)[nH]1.[K+].
What is the InChIKey of potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
The InChIKey is IAPCTXZQXAVYNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1.
What are the key properties of potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate?
potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate has a molecular weight of 195.17 g/mol, XLogP of -6.17, 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-1H-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 2723920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).