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CAS 23195-60-0 3-p-Tolyl-1H-[1,2,4]triazole molecular structure lightbox
CAS RN: 23195-60-0

3-p-Tolyl-1H-[1,2,4]triazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 200mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-112746
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23195-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23195-60-0 / 5-(4-methylphenyl)-1H-1,2,4-triazole

Standard CAS: 23195-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23195-60-0
Multi CAS
No
Molecular Formula
C9H9N3
Molecular Weight
159.190000
Exact Mass
159.079647
SMILES
CC1=CC=C(C=C1)C2=NC=NN2
InChI
InChI=1S/C9H9N3/c1-7-2-4-8(5-3-7)9-10-6-11-12-9/h2-6H,1H3,(H,10,11,12)
InChIKey
ZASQHVAGPKBSHH-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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