![CAS 27277-03-8 (5-Amino-1H-[1,2,4]triazol-3-yl)-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27277-03-8.gif)
CAS RN: 27277-03-8
(5-Amino-1H-[1,2,4]triazol-3-yl)-methanol
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-126236
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: 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
27277-03-8 / (3-amino-1H-1,2,4-triazol-5-yl)methanol
Basic Information
CAS
27277-03-8
Multi CAS
No
Molecular Formula
C3H6N4O
Molecular Weight
114.110000
Exact Mass
114.054161
SMILES
C(C1=NC(=NN1)N)O
InChI
InChI=1S/C3H6N4O/c4-3-5-2(1-8)6-7-3/h8H,1H2,(H3,4,5,6,7)
InChIKey
WQWSMVWRGAFPJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
26.72
TPSA
87.82
LogP / Solubility
WLOGP
-1.12
MLOGP
-1
XLogP3
-1.2
Consensus LogP
-1.11
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
0.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.41
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21
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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