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CAS 35607-27-3 5-(Pyridin-3-yl)-4H-1,2,4-triazol-3-amine molecular structure lightbox
CAS RN: 35607-27-3

5-(Pyridin-3-yl)-4H-1,2,4-triazol-3-amine

  • Product code: SSC-142635
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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 35607-27-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

35607-27-3 / 5-pyridin-3-yl-1H-1,2,4-triazol-3-amine

Standard CAS: 35607-27-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35607-27-3
Multi CAS
Yes
Molecular Formula
C7H7N5
Molecular Weight
161.160000
Exact Mass
161.070145
InChI
InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H3,8,10,11,12)
InChIKey
USTVEFNDQUIZNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.03
TPSA
80.48

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
0.2
Consensus LogP
0.35
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.38

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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