CAS RN: 944901-24-0
1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine
- Product code: SSC-209450
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
944901-24-0 / (3-methyltriazol-4-yl)methanamine
Basic Information
CAS
944901-24-0
Multi CAS
No
Molecular Formula
C4H8N4
Molecular Weight
112.130000
Exact Mass
112.074896
InChI
InChI=1S/C4H8N4/c1-8-4(2-5)3-6-7-8/h3H,2,5H2,1H3
InChIKey
PVWKPXNAMNJOFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
28.89
TPSA
56.73
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.65
XLogP3
-1.4
Consensus LogP
-0.93
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.92
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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