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CAS 137141-14-1 2-Chloro-N-[1,2,4]triazol-4-yl-acetaMide, 98+% C4H5ClN4O, MW: 160.56 molecular structure lightbox
CAS RN: 137141-14-1

2-Chloro-N-[1,2,4]triazol-4-yl-acetaMide, 98+% C4H5ClN4O, MW: 160.56

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS137141-14-1
  • Purity/Analytical Methods: >99.0%
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137141-14-1 / 2-chloro-N-(1,2,4-triazol-4-yl)acetamide

Standard CAS: 137141-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137141-14-1
Multi CAS
No
Molecular Formula
C4H5ClN4O
Molecular Weight
160.560000
Exact Mass
160.015189
SMILES
C1=NN=CN1NC(=O)CCl
InChI
InChI=1S/C4H5ClN4O/c5-1-4(10)8-9-2-6-7-3-9/h2-3H,1H2,(H,8,10)
InChIKey
JYEVUSOWMMQOTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.11
TPSA
59.81

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.37
XLogP3
-0.3
Consensus LogP
-0.36
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-3.99

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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