CAS RN: 1824113-33-8

[1,2,4]Triazolo[1,5-a]pyridin-6-yl-methanol

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  • Product code: starshine_CAS1824113-33-8
  • Purity/Analytical Methods: >99.0%
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1824113-33-8 / [1,2,4]triazolo[1,5-a]pyridin-6-ylmethanol

Standard CAS: 1824113-33-8 Multi CAS: No

Basic Information

CAS
1824113-33-8
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
C1=CC2=NC=NN2C=C1CO
InChI
InChI=1S/C7H7N3O/c11-4-6-1-2-7-8-5-9-10(7)3-6/h1-3,5,11H,4H2
InChIKey
RDWPGTPWZZKZHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.91
TPSA
50.42

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
-0.1
Consensus LogP
0.1
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
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)
-3.47

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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