![CAS 154748-67-1 1-[(4-Hydrazinophenyl)methyl]-1H-1,2,4-triazole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/154748-67-1.gif)
CAS RN: 154748-67-1
1-[(4-Hydrazinophenyl)methyl]-1H-1,2,4-triazole hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260209 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS154748-67-1
- Purity/Analytical Methods: >99.0%
154748-67-1 / [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride
Basic Information
CAS
154748-67-1
Multi CAS
No
Molecular Formula
C9H12ClN5
Molecular Weight
225.680000
Exact Mass
225.078123
SMILES
C1=CC(=CC=C1CN2C=NC=N2)NN.Cl
InChI
InChI=1S/C9H11N5.ClH/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14;/h1-4,6-7,13H,5,10H2;1H
InChIKey
WTSGWKNUHMEHOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
60.62
TPSA
68.76
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]
H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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