![CAS 21732-98-9 1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID HYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21732-98-9.gif)
CAS RN: 21732-98-9
1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID HYDRAZIDE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-104852
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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
21732-98-9 / 1H-1,2,4-triazole-5-carbohydrazide
Basic Information
CAS
21732-98-9
Multi CAS
No
Molecular Formula
C3H5N5O
Molecular Weight
127.110000
Exact Mass
127.049410
SMILES
C1=NNC(=N1)C(=O)NN
InChI
InChI=1S/C3H5N5O/c4-7-3(9)2-5-1-6-8-2/h1H,4H2,(H,7,9)(H,5,6,8)
InChIKey
BKTBECSWYCHYID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
28.04
TPSA
96.69
LogP / Solubility
WLOGP
-1.59
MLOGP
-1.41
XLogP3
-1.1
Consensus LogP
-1.37
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
0.55
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.71
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)
-4.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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