CAS RN: 883545-31-1
1-(1H-1,2,4-triazol-1-yl)propan-2-amine(SALTDATA: FREE)
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.20260619 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS883545-31-1
- Purity/Analytical Methods: >99.0%
883545-31-1 / 1-(1,2,4-triazol-1-yl)propan-2-amine
Basic Information
CAS
883545-31-1
Multi CAS
No
Molecular Formula
C5H10N4
Molecular Weight
126.160000
Exact Mass
126.090546
InChI
InChI=1S/C5H10N4/c1-5(6)2-9-4-7-3-8-9/h3-5H,2,6H2,1H3
InChIKey
ZTZDXHFMAKRNMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.67
TPSA
56.73
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.34
XLogP3
-0.6
Consensus LogP
-0.44
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
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)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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