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CAS 16120-00-6 6-Methyl-1,2,4-triazin-5-ol molecular structure lightbox
CAS RN: 16120-00-6

6-Methyl-1,2,4-triazin-5-ol

  • Product code: SSC-068901
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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 16120-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

16120-00-6 / 6-methyl-4H-1,2,4-triazin-5-one

Standard CAS: 16120-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16120-00-6
Multi CAS
No
Molecular Formula
C4H5N3O
Molecular Weight
111.100000
Exact Mass
111.043262
SMILES
CC1=NN=CNC1=O
InChI
InChI=1S/C4H5N3O/c1-3-4(8)5-2-6-7-3/h2H,1H3,(H,5,6,8)
InChIKey
PDWZJMKDSKSWMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
27.39
TPSA
58.64

LogP / Solubility

WLOGP
-0.53
MLOGP
-0.47
XLogP3
-0.7
Consensus LogP
-0.57
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
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)
-3.77

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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