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CAS 6498-04-0 1,2,4-TRIAZINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 6498-04-0

1,2,4-TRIAZINE-3-CARBOXYLIC ACID

  • Product code: SSC-174628
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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 6498-04-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

6498-04-0 / 1,2,4-triazine-3-carboxylic acid

Standard CAS: 6498-04-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6498-04-0
Multi CAS
Yes
Molecular Formula
C4H3N3O2
Molecular Weight
125.090000
Exact Mass
125.022526
InChI
InChI=1S/C4H3N3O2/c8-4(9)3-5-1-2-6-7-3/h1-2H,(H,8,9)
InChIKey
OKVCKNCXOXSKPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
26.79
TPSA
75.97

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.39
XLogP3
-0.9
Consensus LogP
-0.57
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.79

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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