4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid

C4H4N4O3 — CID 135478884

IUPAC4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESNc1nc(C(=O)O)[nH]c(=O)n1
InChIInChI=1S/C4H4N4O3/c5-3-6-1(2(9)10)7-4(11)8-3/h(H,9,10)(H3,5,6,7,8,11)
InChIKeyOOQZQXLIGLORLI-UHFFFAOYSA-N
MW156.10 g/mol
LogP-1.55
Rot. Bonds1

About 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid

4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid (PubChem CID 135478884) has the molecular formula C4H4N4O3 and a molecular weight of 156.10 g/mol. Its IUPAC name is 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid
PubChem CID135478884
Molecular FormulaC4H4N4O3
Molecular Weight156.10 g/mol
Exact Mass156.03
IUPAC Name4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESNc1nc(C(=O)O)[nH]c(=O)n1
InChIInChI=1S/C4H4N4O3/c5-3-6-1(2(9)10)7-4(11)8-3/h(H,9,10)(H3,5,6,7,8,11)
InChIKeyOOQZQXLIGLORLI-UHFFFAOYSA-N
XLogP-1.55
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Oteracil
CID 4604
Oxonate
CID 24183644
Oxonic acid potassium salt, 97%
CID 24206406
(2E)-2-(carbamoylamino)-2-carbamoyliminoacetic acid
CID 9547891
2,6-Dihydroxytriazinecarboxylate
CID 25201614
Sodium 5-azaorotate
CID 54598356
6-oxo-1H-1,3,5-triazine-2-carboxylic acid
CID 22764789
4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid;hydrate
CID 141327896
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
4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid
CID 46782654

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid (CID 135478884) is 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid is Nc1nc(C(=O)O)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
The InChIKey is OOQZQXLIGLORLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3/c5-3-6-1(2(9)10)7-4(11)8-3/h(H,9,10)(H3,5,6,7,8,11).
What are the key properties of 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid?
4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid has a molecular weight of 156.10 g/mol, XLogP of -1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-oxo-1H-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 135478884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).