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CAS 25637-43-8 1-BENZYL-1H-[1,2,4]TRIAZOL-3-YLAMINE molecular structure lightbox
CAS RN: 25637-43-8

1-BENZYL-1H-[1,2,4]TRIAZOL-3-YLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS25637-43-8
  • Purity/Analytical Methods: >99.0%
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25637-43-8 / 1-benzyl-1,2,4-triazol-3-amine

Standard CAS: 25637-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25637-43-8
Multi CAS
No
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
SMILES
C1=CC=C(C=C1)CN2C=NC(=N2)N
InChI
InChI=1S/C9H10N4/c10-9-11-7-13(12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,10,12)
InChIKey
IOILQNNNLJZCNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.98
TPSA
56.73

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
1.3
Consensus LogP
1
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-3.14

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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