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CAS 20560-95-6 Methyl 4-amino-2H-1,2,3-triazole-5-carboxylate molecular structure lightbox
CAS RN: 20560-95-6

Methyl 4-amino-2H-1,2,3-triazole-5-carboxylate

  • Product code: SSC-096840
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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 20560-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

20560-95-6 / methyl 5-amino-2H-triazole-4-carboxylate

Standard CAS: 20560-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20560-95-6
Multi CAS
No
Molecular Formula
C4H6N4O2
Molecular Weight
142.120000
Exact Mass
142.049075
SMILES
COC(=O)C1=NNN=C1N
InChI
InChI=1S/C4H6N4O2/c1-10-4(9)2-3(5)7-8-6-2/h1H3,(H3,5,6,7,8)
InChIKey
WEOCOMGAVIMDML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
32.13
TPSA
93.89

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.73
Consensus LogP
-0.52
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.02
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17

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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