![CAS 950769-01-4 1-[2-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]methanamine(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/950769-01-4.gif)
CAS RN: 950769-01-4
1-[2-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]methanamine(SALTDATA: FREE)
- Product code: SSC-210287
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 | Shenzhen | Inquiry |
950769-01-4 / [2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanamine
Basic Information
CAS
950769-01-4
Multi CAS
No
Molecular Formula
C8H9N5
Molecular Weight
175.190000
Exact Mass
175.085795
InChI
InChI=1S/C8H9N5/c9-4-7-2-1-3-11-8(7)13-6-10-5-12-13/h1-3,5-6H,4,9H2
InChIKey
ZOTWLOCOCZAXCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.05
TPSA
69.62
LogP / Solubility
WLOGP
0.12
MLOGP
0.1
XLogP3
-0.2
Consensus LogP
0.01
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-3.7
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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