CID 16448740

2-methyl-5-(propan-2-yl)-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C9H12N4O
SMILES
CC1=NC2=NC(=CC(=O)N2N1)C(C)C
InChI
InChI=1S/C9H12N4O/c1-5(2)7-4-8(14)13-9(11-7)10-6(3)12-13/h4-5H,1-3H3,(H,10,11,12)
InChIKey
ZRLXWRPBRRVUPP-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

192.1011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.108376 141.4
[M+Na]+ 215.090318 153.7
[M-H]- 191.093824 140.6
[M+NH4]+ 210.134923 158.5
[M+K]+ 231.064258 149.7
[M+H-H2O]+ 175.098360 133.7
[M+HCOO]- 237.099301 160.6
[M+CH3COO]- 251.114951 182.7
[M+Na-2H]- 213.075766 147.0
[M]+ 192.10055142 143.8
[M]- 192.10164858 143.8
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