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CAS 1020039-12-6 7-Chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one molecular structure lightbox
CAS RN: 1020039-12-6

7-Chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-003222
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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 1020039-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1020039-12-6 / 7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE | MFCD23701114 | 7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Standard CAS: 1020039-12-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1020039-12-6
Multi CAS
Yes
Molecular Formula
C6H4ClN3O
Molecular Weight
169.570000
Exact Mass
169.004290
SMILES
C1=CN2C(=NNC2=O)C=C1Cl
InChI
InChI=1S/C6H4ClN3O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,(H,9,11)
InChIKey
RJGCGYRBLODQEG-UHFFFAOYSA-N
Synonyms
7-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE MFCD23701114 7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one 1,2,4-triazolo[4,3-a]pyridin-3(2h)-one, 7-chloro- 7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-ol

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.82
TPSA
50.16

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.4
Consensus LogP
0.56
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.27

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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