CID 3670101

2-amino-5-propyl-3h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C8H11N5O
SMILES
CCCC1=CC(=O)N2C(=N1)N=C(N2)N
InChI
InChI=1S/C8H11N5O/c1-2-3-5-4-6(14)13-8(10-5)11-7(9)12-13/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKey
GBPHKZAUMLUTOP-UHFFFAOYSA-N
Compound name
2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.09636 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10364 140.9
[M+Na]+ 216.08558 153.0
[M-H]- 192.08908 139.7
[M+NH4]+ 211.13018 157.4
[M+K]+ 232.05952 148.3
[M+H-H2O]+ 176.09362 132.9
[M+HCOO]- 238.09456 161.8
[M+CH3COO]- 252.11021 153.6
[M+Na-2H]- 214.07103 147.7
[M]+ 193.09581 141.9
[M]- 193.09691 141.9
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