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CAS 1313726-30-5 [1,2,4]Triazolo[1,5-a]pyridine-7-methanamine molecular structure lightbox
CAS RN: 1313726-30-5

[1,2,4]Triazolo[1,5-a]pyridine-7-methanamine

  • Product code: SSC-038184
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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: 0.1g, 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 1313726-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1313726-30-5 / [1,2,4]triazolo[1,5-a]pyridin-7-ylmethanamine

Standard CAS: 1313726-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1313726-30-5
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
C1=CN2C(=NC=N2)C=C1CN
InChI
InChI=1S/C7H8N4/c8-4-6-1-2-11-7(3-6)9-5-10-11/h1-3,5H,4,8H2
InChIKey
GNRAFJNQNVUWOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.88
TPSA
56.21

LogP / Solubility

WLOGP
0.19
MLOGP
0.16
XLogP3
-0.4
Consensus LogP
-0.02
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
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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