CID 18996564

5-butyl-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C9H12N4O
SMILES
CCCCC1=CC(=O)N2C(=N1)N=CN2
InChI
InChI=1S/C9H12N4O/c1-2-3-4-7-5-8(14)13-9(12-7)10-6-11-13/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKey
AWSBUPZHHVAQGZ-UHFFFAOYSA-N
Compound name
5-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

192.1011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 140.7
[M+Na]+ 215.09032 154.3
[M+NH4]+ 210.13492 147.4
[M+K]+ 231.06426 150.0
[M-H]- 191.09382 139.9
[M+Na-2H]- 213.07577 146.3
[M]+ 192.10055 142.2
[M]- 192.10165 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe