CAS RN: 1391733-00-8
4-(Hydrazinylmethyl)-1-Methyl-1H-Pyrazole Trihydrochloride
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.20260303 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391733-00-8
- Purity/Analytical Methods: >99.0%
1391733-00-8 / (1-methylpyrazol-4-yl)methylhydrazine;trihydrochloride
Basic Information
CAS
1391733-00-8
Multi CAS
No
Molecular Formula
C5H13Cl3N4
Molecular Weight
235.500000
Exact Mass
234.020580
SMILES
CN1C=C(C=N1)CNN.Cl.Cl.Cl
InChI
InChI=1S/C5H10N4.3ClH/c1-9-4-5(2-7-6)3-8-9;;;/h3-4,7H,2,6H2,1H3;3*1H
InChIKey
QOEVJJSIIGCCHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.98
TPSA
55.87
LogP / Solubility
WLOGP
0.65
MLOGP
0.58
XLogP3
0.65
Consensus LogP
0.63
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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