chempirical

9-Deazahypoxanthine

C6H5N3OCAS 5655-01-6135.13 g/mol

Open in Covalent MOL file
HNNHNO

Properties

Molecular formula
C6H5N3O
Molar mass
135.13 g/mol
Exact mass
135.0433 Da
logP
0.25Crippen estimate
Polar surface area
61.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5655-01-6
SMILES
C1=CNC2=C1N=CNC2=O
InChIKey
UWMXUDUWVFWJPX-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O/c10-6-5-4(1-2-7-5)8-3-9-6/h1-3,7H,(H,8,9,10)

Weigh it out

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Names and synonyms

1 names
  • 1,5-Dihydro-4H-pyrrolo[3,2-D]pyrimidin-4-one

Work with 9-Deazahypoxanthine

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

9-Deazaguanine65996-58-949 % similar 3H,4H-Thieno[3,2-d]pyrimidin-4-one16234-10-947 % similar 7-Bromo-1H-quinazolin-4-one194851-16-643 % similar 6-Bromoquinazolin-4-ol32084-59-643 % similar 5-Fluoroquinazolin-4-ol436-72-643 % similar 5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)2227-98-741 % similar 7-Chloro-1H-pyrrolo[3,2-b]pyridine357263-48-041 % similar 4-Chloro-5H-pyrrolo[3,2-D] pyrimidine84905-80-641 % similar

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

Same formula

Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one159326-71-3 Furo[2,3-d]pyrimidin-4-amine186454-70-6 Hydroxybenzotriazole2592-95-2 4-Hydroxybenzotriazole26725-51-9 Pyrazolo[1,5-a]pyrimidin-5(1H)-one29274-22-4 7-Deazahypoxanthine3680-71-5 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one6969-71-7 3H-Imidazo[4,5-c]pyridin-2-ol7397-68-4

Elsewhere

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