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CAS 1417637-80-9 2,8-DiMethyl[1,2,4]triazolo[1,5-a]pyridin-6-ylaMine molecular structure lightbox
CAS RN: 1417637-80-9

2,8-DiMethyl[1,2,4]triazolo[1,5-a]pyridin-6-ylaMine

  • Product code: SSC-052425
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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: ＞97%
  • 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 1417637-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1417637-80-9 / 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine

Standard CAS: 1417637-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1417637-80-9
Multi CAS
No
Molecular Formula
C8H10N4
Molecular Weight
162.190000
Exact Mass
162.090546
SMILES
CC1=CC(=CN2C1=NC(=N2)C)N
InChI
InChI=1S/C8H10N4/c1-5-3-7(9)4-12-8(5)10-6(2)11-12/h3-4H,9H2,1-2H3
InChIKey
XFOJIHPUPOLVJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.87
TPSA
56.21

LogP / Solubility

WLOGP
0.93
MLOGP
0.81
XLogP3
0.8
Consensus LogP
0.85
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.05

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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