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CAS 130612-31-6 2-(1H-1,2,4-Triazol-5-yl)pyrazine molecular structure lightbox
CAS RN: 130612-31-6

2-(1H-1,2,4-Triazol-5-yl)pyrazine

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260120 1g In stock Shanghai Inquiry
Batchno.20250614 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20251222 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251109 25g In stock Shanghai Inquiry
Batchno.20250130 5g In stock Shanghai Inquiry
  • Product code: SSC-037218
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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 130612-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

130612-31-6 / 2-(1H-1,2,4-triazol-5-yl)pyrazine

Standard CAS: 130612-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130612-31-6
Multi CAS
No
Molecular Formula
C6H5N5
Molecular Weight
147.140000
Exact Mass
147.054495
SMILES
C1=CN=C(C=N1)C2=NC=NN2
InChI
InChI=1S/C6H5N5/c1-2-8-5(3-7-1)6-9-4-10-11-6/h1-4H,(H,9,10,11)
InChIKey
UVERQPQFEHVFEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.41
TPSA
67.35

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
-0.5
Consensus LogP
-0.01
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
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)
-3.43

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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