CAS RN: 40775-75-5

5-HYDROXY-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL

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  • Product code: starshine_CAS40775-75-5
  • Purity/Analytical Methods: >99.0%
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40775-75-5 / 7-hydroxy-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Standard CAS: 40775-75-5 Multi CAS: Yes

Basic Information

CAS
40775-75-5
Multi CAS
Yes
Molecular Formula
C5H4N4O2
Molecular Weight
152.110000
Exact Mass
152.033425
InChI
InChI=1S/C5H4N4O2/c10-3-1-4(11)9-5(8-3)6-2-7-9/h1-2,11H,(H,6,7,8,10)
InChIKey
MGSUQXAMLTWXCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
35.27
TPSA
83.28

LogP / Solubility

WLOGP
-0.88
MLOGP
-0.78
XLogP3
-0.7
Consensus LogP
-0.79
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.08
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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