CAS RN: 84440-19-7
1H-1,2,3-TRIAZOLE-4-METHANOL
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.20260406 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS84440-19-7
- Purity/Analytical Methods: >99.0%
84440-19-7 / 2H-triazol-4-ylmethanol
Basic Information
CAS
84440-19-7
Multi CAS
Yes
Molecular Formula
C3H5N3O
Molecular Weight
99.090000
Exact Mass
99.043262
InChI
InChI=1S/C3H5N3O/c7-2-3-1-4-6-5-3/h1,7H,2H2,(H,4,5,6)
InChIKey
OADYBXHYXPEGHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
22.31
TPSA
61.8
LogP / Solubility
WLOGP
-0.7
MLOGP
-0.63
XLogP3
-1.3
Consensus LogP
-0.88
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
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)
-3.82
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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