CAS RN: 897054-15-8
3-(4H-1,2,4-triazol-4-yl)-1-propanamine(SALTDATA: 2HCl)
- Product code: SSC-201760
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 |
897054-15-8 / 3-(1,2,4-triazol-4-yl)propan-1-amine
Basic Information
CAS
897054-15-8
Multi CAS
Yes
Molecular Formula
C5H10N4
Molecular Weight
126.160000
Exact Mass
126.090546
InChI
InChI=1S/C5H10N4/c6-2-1-3-9-4-7-8-5-9/h4-5H,1-3,6H2
InChIKey
IQVSUNIKPGWHEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.69
TPSA
56.73
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.34
XLogP3
-1.2
Consensus LogP
-0.64
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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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