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CAS 31040-10-5 3-Methyl-8-nitro-1,2,4-triazolo[4,3-a]pyridine molecular structure lightbox
CAS RN: 31040-10-5

3-Methyl-8-nitro-1,2,4-triazolo[4,3-a]pyridine

  • Product code: SSC-136256
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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 31040-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

31040-10-5 / 3-methyl-8-nitro-[1,2,4]triazolo[4,3-a]pyridine

Standard CAS: 31040-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31040-10-5
Multi CAS
Yes
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
InChI
InChI=1S/C7H6N4O2/c1-5-8-9-7-6(11(12)13)3-2-4-10(5)7/h2-4H,1H3
InChIKey
DLPGXJBTSGCREP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
44.38
TPSA
73.33

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
1.4
Consensus LogP
1.06
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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