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CAS 126748-87-6 1-methyl-1H-1,2,4-triazole-3-carbaldehyde molecular structure lightbox
CAS RN: 126748-87-6

1-methyl-1H-1,2,4-triazole-3-carbaldehyde

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260416 10g In stock Shanghai Inquiry
Batchno.20260212 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260427 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260410 5g In stock Shanghai Inquiry
  • Product code: SSC-033899
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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: 5g
  • 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 126748-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

126748-87-6 / 1-methyl-1,2,4-triazole-3-carbaldehyde

Standard CAS: 126748-87-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
126748-87-6
Multi CAS
No
Molecular Formula
C4H5N3O
Molecular Weight
111.100000
Exact Mass
111.043262
SMILES
CN1C=NC(=N1)C=O
InChI
InChI=1S/C4H5N3O/c1-7-3-5-4(2-8)6-7/h2-3H,1H3
InChIKey
NLBSACQGJDXXNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
26.39
TPSA
47.78

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.34
XLogP3
-0.2
Consensus LogP
-0.3
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
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)
-3.66

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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