chempirical

Pyrrolopyrimidine

C6H5N3CAS 272-50-4119.13 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C6H5N3
Molar mass
119.13 g/mol
Exact mass
119.0483 Da
logP
0.96Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 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
272-50-4
SMILES
C1=CNC2=CN=CN=C21
InChIKey
KDOPAZIWBAHVJB-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-4,8H

Weigh it out

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

Names and synonyms

1 names
  • 1,4,6-Triazaindene

Work with Pyrrolopyrimidine

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-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-848 % similar 1H-Pyrrolo[3,2-b]pyridine272-49-148 % similar 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-447 % similar 6-Bromo-1H-pyrrolo[3,2-b]pyridine944937-53-547 % similar 1H-Pyrrolo[2,3-c]pyridine271-29-443 % similar Quinazoline253-82-740 % similar 5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)2227-98-739 % similar Purine120-73-039 % similar

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

Same formula

2-Amino-3-cyanopyridine24517-64-4 1H-Pyrazolo[3,4-c]pyridine271-47-6 1H-Pyrazolo[4,3-C]pyridine271-52-3 1H-Pyrazolo(3,4-b)pyridine271-73-8 1H-Pyrazolo(4,3-b)pyridine272-52-6 5-Azabenzimidazole272-97-9 Imidazo[4,5-b]pyridine273-21-2 Pyrazolopyrimidine274-71-5

Elsewhere

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