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CAS 42786-04-9 1-Ethyl-1H-1,2,4-triazol-3-amine molecular structure lightbox
CAS RN: 42786-04-9

1-Ethyl-1H-1,2,4-triazol-3-amine

  • Product code: SSC-151050
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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 42786-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

42786-04-9 / 1-ethyl-1,2,4-triazol-3-amine

Standard CAS: 42786-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42786-04-9
Multi CAS
Yes
Molecular Formula
C4H8N4
Molecular Weight
112.130000
Exact Mass
112.074896
InChI
InChI=1S/C4H8N4/c1-2-8-3-6-4(5)7-8/h3H,2H2,1H3,(H2,5,7)
InChIKey
IBUMUBQOWFBTFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
30.11
TPSA
56.73

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.12
XLogP3
-0.7
Consensus LogP
-0.31
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
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)
-3.49

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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