CAS RN: 933724-39-1

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carbaldehyde

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  • Product code: starshine_CAS933724-39-1
  • Purity/Analytical Methods: >99.0%
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933724-39-1 / [1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde

Standard CAS: 933724-39-1 Multi CAS: No

Basic Information

CAS
933724-39-1
Multi CAS
No
Molecular Formula
C6H4N4O
Molecular Weight
148.120000
Exact Mass
148.038511
InChI
InChI=1S/C6H4N4O/c11-3-5-1-7-6-8-4-9-10(6)2-5/h1-4H
InChIKey
HUXMAEVVLRUGJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
36.17
TPSA
60.15

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.4
Consensus LogP
-0.17
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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