![CAS 1195596-30-5 (1H-[1,2,4]Triazol-3-yl)-methanol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1195596-30-5.gif)
CAS RN: 1195596-30-5
(1H-[1,2,4]Triazol-3-yl)-methanol 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.20260423 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-020081
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1195596-30-5 / 1H-1,2,4-triazol-5-ylmethanol;hydrochloride
(1H-1,2,4-triazol-5-yl)methanol hydrochloride | (1H-[1,2,4]Triazol-3-yl)-methanol hydrochloride | MFCD29037427
Basic Information
CAS
1195596-30-5
Multi CAS
No
Molecular Formula
C3H6ClN3O
Molecular Weight
135.550000
Exact Mass
135.019940
SMILES
C1=NNC(=N1)CO.Cl
InChI
InChI=1S/C3H5N3O.ClH/c7-1-3-4-2-5-6-3;/h2,7H,1H2,(H,4,5,6);1H
InChIKey
HXQFKFAOONICQH-UHFFFAOYSA-N
Synonyms
(1H-1,2,4-triazol-5-yl)methanol hydrochloride
(1H-[1,2,4]Triazol-3-yl)-methanol hydrochloride
MFCD29037427
1H-1,2,4-triazol-5-ylmethanol;hydrochloride
C3H6ClN3O
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
29.55
TPSA
61.8
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.26
XLogP3
-0.28
Consensus LogP
-0.27
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very 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)
-3.75
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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