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CAS 1622839-02-4 1-Cyclopropyl-1H-1,2,3-triazol-4-amine molecular structure lightbox
CAS RN: 1622839-02-4

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

  • Product code: SSC-069824
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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
  • 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 1622839-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 4 In Stock Beijing Inquiry
0.25g >95% 4 In Stock Hong Kong Inquiry
1g >95% 3 In Stock Hong Kong Inquiry

1622839-02-4 / 1-cyclopropyltriazol-4-amine

Standard CAS: 1622839-02-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1622839-02-4
Multi CAS
No
Molecular Formula
C5H8N4
Molecular Weight
124.140000
Exact Mass
124.074896
SMILES
C1CC1N2C=C(N=N2)N
InChI
InChI=1S/C5H8N4/c6-5-3-9(8-7-5)4-1-2-4/h3-4H,1-2,6H2
InChIKey
APQVXCJWAKCUGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
32.71
TPSA
56.73

LogP / Solubility

WLOGP
0.2
MLOGP
0.16
XLogP3
-0.2
Consensus LogP
0.05
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-3.34

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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