CAS RN: 1877910-73-0
2-(1,2,3-Triazol-1-yl)acetohydrazide Hydrochloride
- Product code: SSC-087288
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1877910-73-0 / 2-(triazol-1-yl)acetohydrazide;hydrochloride
Basic Information
CAS
1877910-73-0
Multi CAS
No
Molecular Formula
C4H8ClN5O
Molecular Weight
177.590000
Exact Mass
177.041738
SMILES
C1=CN(N=N1)CC(=O)NN.Cl
InChI
InChI=1S/C4H7N5O.ClH/c5-7-4(10)3-9-2-1-6-8-9;/h1-2H,3,5H2,(H,7,10);1H
InChIKey
WZKDSSKQZSHGLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
39.6
TPSA
85.83
LogP / Solubility
WLOGP
-1.31
MLOGP
-1.16
XLogP3
-1.31
Consensus LogP
-1.26
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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