CAS RN: 955887-11-3
2-Methyl-2H-1,2,3-triazol-4-aMine hydrochloride (SALTDATA: HCl)
- Product code: SSC-211038
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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
955887-11-3 / 2-methyltriazol-4-amine;hydrochloride
Basic Information
CAS
955887-11-3
Multi CAS
Yes
Molecular Formula
C3H7CLN4
Molecular Weight
134.570000
Exact Mass
134.035924
InChI
InChI=1S/C3H6N4.ClH/c1-7-5-2-3(4)6-7;/h2H,1H3,(H2,4,6);1H
InChIKey
FVKCKPOCZHAKFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
4
H-bond donors
1
Molar refractivity
32.66
TPSA
56.73
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.17
XLogP3
-0.18
Consensus LogP
-0.18
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
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)
-3.67
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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