chempirical

Ammelide

C3H4N4O2CAS 645-93-2128.09 g/mol

Open in Covalent MOL file
NHNOHNHHON
Phenol

Properties

Molecular formula
C3H4N4O2
Molar mass
128.09 g/mol
Exact mass
128.0334 Da
logP
-1.30Crippen estimate
Polar surface area
105.9 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
0

Identifiers

CAS number
645-93-2
SMILES
N=c1nc(O)[nH]c(O)n1
InChIKey
YSKUZVBSHIWEFK-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1,3,5-Triazine-2,4(1H,3H)-dione, 6-amino-
  • s-Triazine-2,4(1H,3H)-dione, 6-amino-
  • s-Triazine-2,4(1H,3H)-dione, dihydro-6-imino-
  • 6-Amino-1,3,5-triazine-2,4(1H,3H)-dione
  • Melanurenic acid
  • Ammelid
  • 2-Amino-1,3,5-triazine-4,6-dione
  • s-Dihydroxyaminotriazine
  • 2-Amino-4,6-dihydroxy-s-triazine
  • GS 35713
  • NSC 8146

Work with Ammelide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-1,3,5-triazine-4,6-dithiol2770-75-442 % similar Melamine cyanurate37640-57-636 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-236 % similar 2-Benzimidazolinone615-16-734 % similar Cytosine71-30-734 % similar 5-Bromocytosine2240-25-732 % similar 5-Methylcytosine554-01-832 % similar Uric acid69-93-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1H-Tetrazole-1-acetic acid21732-17-2 Tetrazole-5-acetic acid21743-75-9 3-Amino-1,2,4-triazole-5-carboxylic acid3641-13-2

Elsewhere

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