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CAS 122333-32-8 1H-1,2,4-Triazol-5-ol(9CI) molecular structure lightbox
CAS RN: 122333-32-8

1H-1,2,4-Triazol-5-ol(9CI)

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 100g In stock Shanghai Inquiry
Batchno.20260114 10g In stock Shanghai Inquiry
Batchno.20260701 1g In stock Shanghai Inquiry
Batchno.20250208 25g In stock Shanghai Inquiry
Batchno.20260626 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS122333-32-8
  • Purity/Analytical Methods: >99.0%
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122333-32-8 / 1,4-dihydro-1,2,4-triazol-5-one

Standard CAS: 122333-32-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122333-32-8
Multi CAS
No
Molecular Formula
C2H3N3O
Molecular Weight
85.070000
Exact Mass
85.027612
SMILES
C1=NNC(=O)N1
InChI
InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
InChIKey
LZTSCEYDCZBRCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
19.21
TPSA
61.54

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.81
XLogP3
-0.8
Consensus LogP
-0.84
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
0.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.54
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)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (70%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (70%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (30%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (70%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (20%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501

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