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CAS 51291-82-8 5-METHOXY-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE molecular structure lightbox
CAS RN: 51291-82-8

5-METHOXY-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

  • Product code: SSC-158137
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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 51291-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

51291-82-8 / 3-methoxy-1,4-dihydro-1,2,4-triazol-5-one

Standard CAS: 51291-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51291-82-8
Multi CAS
No
Molecular Formula
C3H5N3O2
Molecular Weight
115.090000
Exact Mass
115.038176
InChI
InChI=1S/C3H5N3O2/c1-8-3-4-2(7)5-6-3/h1H3,(H2,4,5,6,7)
InChIKey
ZDINYQOPDQBHQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
25.76
TPSA
70.77

LogP / Solubility

WLOGP
-0.89
MLOGP
-0.8
XLogP3
-0.4
Consensus LogP
-0.7
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly 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)
-4.06

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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