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CAS 55293-96-4 [1,2,4]Triazolo[1,5-a]pyriMidine-2-carboxaldehyde, 5,7-diMethyl- molecular structure lightbox
CAS RN: 55293-96-4

[1,2,4]Triazolo[1,5-a]pyriMidine-2-carboxaldehyde, 5,7-diMethyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55293-96-4
  • Purity/Analytical Methods: >99.0%
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55293-96-4 / 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

Standard CAS: 55293-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55293-96-4
Multi CAS
No
Molecular Formula
C8H8N4O
Molecular Weight
176.180000
Exact Mass
176.069811
InChI
InChI=1S/C8H8N4O/c1-5-3-6(2)12-8(9-5)10-7(4-13)11-12/h3-4H,1-2H3
InChIKey
WSPTZMRMBBUVSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
45.64
TPSA
60.15

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.7
Consensus LogP
0.58
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.4

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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