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CAS 1043902-87-9 ethyl[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate(WX130464) molecular structure lightbox
CAS RN: 1043902-87-9

ethyl[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate(WX130464)

  • Product code: SSC-006156
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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 1043902-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1043902-87-9 / ethyl [1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

ethyl [1,2,4]triazolo[1,5-a]pyridine-6-carboxylate | MFCD26392046 | [1,2,4]Triazolo[1,5-a]pyridine-6-carboxylic acid ethyl ester

Standard CAS: 1043902-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1043902-87-9
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CCOC(=O)C1=CN2C(=NC=N2)C=C1
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-3-4-8-10-6-11-12(8)5-7/h3-6H,2H2,1H3
InChIKey
ZEEFFBJYFZGJMR-UHFFFAOYSA-N
Synonyms
ethyl [1,2,4]triazolo[1,5-a]pyridine-6-carboxylate MFCD26392046 [1,2,4]Triazolo[1,5-a]pyridine-6-carboxylic acid ethyl ester [1,2,4]Triazolo[1,5-a]pyridine-6-carboxylic acid, ethyl ester Ethyl[1,2,4]Triazolo[1,5-a]pyridine-6-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.94
TPSA
56.49

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.24

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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