CAS RN: 1092279-01-0
(4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOL-3-YL)METHANAMINE HYDROCHLORIDE, 97%(HPLC)
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.20251203 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM926581
1092279-01-0 / (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
(4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOL-3-YL)METHANAMINE HYDROCHLORIDE | (4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;hydrochloride | AKOS015898721
Basic Information
CAS
1092279-01-0
Multi CAS
Yes
Molecular Formula
C5H11ClN4S
Molecular Weight
194.690000
Exact Mass
194.039295
SMILES
CN1C(=NN=C1SC)CN.Cl
InChI
InChI=1S/C5H10N4S.ClH/c1-9-4(3-6)7-8-5(9)10-2;/h3,6H2,1-2H3;1H
InChIKey
OCRIEAOZDORDJU-UHFFFAOYSA-N
Synonyms
(4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOL-3-YL)METHANAMINE HYDROCHLORIDE
(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
AKOS015898721
DB-189776
CS-0300575
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.92
TPSA
56.73
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
0.42
Consensus LogP
0.4
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.61
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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