![CAS 1092394-16-5 2-Amino[1,2,4]triazolo[1,5-a]pyridin-6-olhydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092394-16-5.gif)
CAS RN: 1092394-16-5
2-Amino[1,2,4]triazolo[1,5-a]pyridin-6-olhydrobromide
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS1092394-16-5
- Purity/Analytical Methods: >99.0%
1092394-16-5 / 2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-ol;hydrobromide
2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-ol hydrobromide | 2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-ol;hydrobromide | 2-Amino[1,2,4]triazolo[1,5-a]pyridin-6-olhydrobromide
Basic Information
CAS
1092394-16-5
Multi CAS
No
Molecular Formula
C6H7BrN4O
Molecular Weight
231.050000
Exact Mass
229.980320
SMILES
C1=CC2=NC(=NN2C=C1O)N.Br
InChI
InChI=1S/C6H6N4O.BrH/c7-6-8-5-2-1-4(11)3-10(5)9-6;/h1-3,11H,(H2,7,9);1H
InChIKey
HSFWPMATVTVYPC-UHFFFAOYSA-N
Synonyms
2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-ol hydrobromide
2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-ol;hydrobromide
2-Amino[1,2,4]triazolo[1,5-a]pyridin-6-olhydrobromide
2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-OL HBR
C6H7BrN4O
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
49.39
TPSA
76.44
LogP / Solubility
WLOGP
0.59
MLOGP
0.53
XLogP3
0.59
Consensus LogP
0.57
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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