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CAS 89292-91-1 5-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine molecular structure lightbox
CAS RN: 89292-91-1

5-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine

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3 package records3 with current stock1 grade group
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Batchno.20250817 1g In stock Inquiry
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  • Product code: starshine_CAS89292-91-1
  • Purity/Analytical Methods: >99.0%
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89292-91-1 / 3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

Standard CAS: 89292-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89292-91-1
Multi CAS
No
Molecular Formula
C7H14N6
Molecular Weight
182.230000
Exact Mass
182.127994
InChI
InChI=1S/C7H14N6/c1-12-2-4-13(5-3-12)7-9-6(8)10-11-7/h2-5H2,1H3,(H3,8,9,10,11)
InChIKey
OGKMRAGLDFHRGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.51
TPSA
74.07

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.76
XLogP3
-0.1
Consensus LogP
-0.57
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very 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)
-4.44

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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