6-Azathymine

C4H5N3O2CAS 932-53-6127.10 g/mol

Open in Covalent MOL file
NNOHNHO
Phenol

Properties

Molecular formula
C4H5N3O2
Molar mass
127.10 g/mol
Exact mass
127.0382 Da
Melting point
211 °C
logP
-0.41Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
932-53-6
SMILES
Cc1nnc(O)nc1O
InChIKey
XZWMZFQOHTWGQE-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

Weigh it out

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

Names and synonyms

8 names
  • 1,2,4-Triazine-3,5(2H,4H)-dione, 6-methyl-
  • As-Triazine-3,5(2H,4H)-dione, 6-methyl-
  • 6-Methyl-1,2,4-triazine-3,5(2H,4H)-dione
  • 6-Methyl-as-triazine-3,5-(2H,4H)-dione
  • 5-Methyl-6-azauracil
  • 3,5-Dihydroxy-6-methyl-1,2,4-triazine
  • NSC 3426
  • NSC 38620

Work with 6-Azathymine

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

6-Aza-2-thiothymine615-76-956 % similar 5,6-Dimethyluracil26305-13-552 % similar 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione4956-05-248 % similar 6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione16632-21-640 % similar Thymine65-71-440 % similar Lumichrome1086-80-233 % similar 3H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione1468-26-433 % similar Pyrimidine-2,4,5-triol20636-41-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-4-nitroimidazole14003-66-8 N-(Aminocarbonyl)-2-cyanoacetamide1448-98-2 1,2,4-Triazole-1-acetic acid28711-29-7 1-Methyl-4-nitroimidazole3034-41-1 1-Methyl-4-nitro-1H-pyrazole3994-50-1 3-Amino-1H-pyrazole-4-carboxylic acid41680-34-6 Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-5 Methyl 1,2,3-triazole-4-carboxylate4967-77-5

Elsewhere

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