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CAS 3641-10-9 3-Cyano-1,2,4-triazole molecular structure lightbox
CAS RN: 3641-10-9

3-Cyano-1,2,4-triazole

  • Product code: SSC-143603
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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, 5g, 10g, 25g
  • Available purity: >97%
  • 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 3641-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

3641-10-9 / 1H-1,2,4-triazole-5-carbonitrile

Standard CAS: 3641-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3641-10-9
Multi CAS
Yes
Molecular Formula
C3H2N4
Molecular Weight
94.080000
Exact Mass
94.027946
InChI
InChI=1S/C3H2N4/c4-1-3-5-2-6-7-3/h2H,(H,5,6,7)
InChIKey
GUQHFZFTGHNVDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
21.1
TPSA
65.36

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.3
Consensus LogP
-0.21
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
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)
-3.52

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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