![CAS 741717-66-8 [3-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/741717-66-8.gif)
CAS RN: 741717-66-8
[3-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]METHYLAMINE
- Product code: SSC-183604
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
741717-66-8 / [3-(1,2,4-triazol-1-yl)phenyl]methanamine
Basic Information
CAS
741717-66-8
Multi CAS
No
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
InChI
InChI=1S/C9H10N4/c10-5-8-2-1-3-9(4-8)13-7-11-6-12-13/h1-4,6-7H,5,10H2
InChIKey
JIGZDQMQHNQJOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.25
TPSA
56.73
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
0.5
Consensus LogP
0.62
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
1-(3-METHOXYPHENYL)-1H-BENZOIMIDAZOLE
- CAS RN: 741731-37-3
- Product Code: starshine_CAS741731-37-3
- Purity/Analytical method: >99.0%
-
1-(2-METHOXYPHENYL)-1H-BENZOIMIDAZOLE
- CAS RN: 741731-40-8
- Product Code: starshine_CAS741731-40-8
- Purity/Analytical method: >99.0%
-
[[5-(4-FLUOROPHENYL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]ACETIC ACID
- CAS RN: 741731-81-7
- Product Code: SSC-183615
-
tert-butyl 3-hydroxy-2-methylpiperidine-1-carboxylate
- CAS RN: 741737-29-1
- Product Code: SSC-183616
![CAS 741731-81-7 [[5-(4-FLUOROPHENYL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2224521.gif)
