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CAS 51444-31-6 2-[1,2,4]TRIAZOL-1-YL-ETHYLAMINE molecular structure lightbox
CAS RN: 51444-31-6

2-[1,2,4]TRIAZOL-1-YL-ETHYLAMINE

  • Product code: SSC-158281
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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: >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 51444-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

51444-31-6 / 2-(1,2,4-triazol-1-yl)ethanamine

Standard CAS: 51444-31-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51444-31-6
Multi CAS
Yes
Molecular Formula
C4H8N4
Molecular Weight
112.130000
Exact Mass
112.074896
InChI
InChI=1S/C4H8N4/c5-1-2-8-4-6-3-7-8/h3-4H,1-2,5H2
InChIKey
IDWZESHNJMMWTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
29.08
TPSA
56.73

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.68
XLogP3
-1
Consensus LogP
-0.81
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.95

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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