chempirical

6-Amino-1,3,5-triazin-2(1H)-one

C3H4N4OCAS 931-86-2112.09 g/mol

Open in Covalent MOL file
HNNNOHHN
Phenol

Properties

Molecular formula
C3H4N4O
Molar mass
112.09 g/mol
Exact mass
112.0385 Da
Melting point
175–180 °C
logP
-1.01Crippen estimate
Polar surface area
85.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
0

Identifiers

CAS number
931-86-2
SMILES
N=c1ncnc(O)[nH]1
InChIKey
MFEFTTYGMZOIKO-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)

Weigh it out

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

Names and synonyms

10 names
  • 1,3,5-Triazin-2(1H)-one, 6-amino-
  • s-Triazin-2(1H)-one, 4-amino-
  • 1,3,5-Triazin-2(1H)-one, 4-amino-
  • s-Triazin-2-ol, 4-amino-
  • 5-Azacytosine
  • 2-Hydroxy-4-aminotriazine
  • 4-Amino-2-hydroxy-1,3,5-triazine
  • NSC 51100
  • NSC 54006
  • 4-Amino-1,3,5-triazin-2-ol

Work with 6-Amino-1,3,5-triazin-2(1H)-one

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

5-Bromocytosine2240-25-745 % similar Cytosine71-30-743 % similar 5-Methylcytosine554-01-841 % similar 6-Amino-5-iodo-2(1H)-pyrimidinone1122-44-739 % similar Flucytosine2022-85-739 % similar 1,3,5-Triazin-2-amine4122-04-738 % similar 1,3,5-Triazine-2,4-diamine504-08-538 % similar 5-Methylcytosine hydrochloride58366-64-637 % similar

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

Elsewhere

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