![CAS 24167-23-5 3-m-Tolyl-1H-[1,2,4]triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/24167-23-5.png)
CAS RN: 24167-23-5
3-m-Tolyl-1H-[1,2,4]triazole
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT927087
24167-23-5 / 5-(3-methylphenyl)-1H-1,2,4-triazole
Basic Information
CAS
24167-23-5
Multi CAS
No
Molecular Formula
C9H9N3
Molecular Weight
159.190000
Exact Mass
159.079647
SMILES
CC1=CC(=CC=C1)C2=NC=NN2
InChI
InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-10-6-11-12-9/h2-6H,1H3,(H,10,11,12)
InChIKey
UDXZUMKHMMZFKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.56
TPSA
41.57
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
2
Consensus LogP
1.78
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
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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