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CAS 4342-08-9 5-AMINO-1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE molecular structure lightbox
CAS RN: 4342-08-9

5-AMINO-1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE

  • Product code: SSC-151660
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4342-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

4342-08-9 / 5-amino-1-benzyltriazole-4-carboxamide

Standard CAS: 4342-08-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4342-08-9
Multi CAS
Yes
Molecular Formula
C10H11N5O
Molecular Weight
217.230000
Exact Mass
217.096360
InChI
InChI=1S/C10H11N5O/c11-9-8(10(12)16)13-14-15(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,16)
InChIKey
SPSJTSUTONSWEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
58.5
TPSA
99.82

LogP / Solubility

WLOGP
0.01
MLOGP
0.01
XLogP3
0.7
Consensus LogP
0.24
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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