[email protected]
CAS 153334-14-6 1-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-1-PROPANONE molecular structure lightbox
CAS RN: 153334-14-6

1-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-1-PROPANONE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS153334-14-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

153334-14-6 / 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-one

Standard CAS: 153334-14-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153334-14-6
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
SMILES
CCC(=O)C1=NC=NN1C
InChI
InChI=1S/C6H9N3O/c1-3-5(10)6-7-4-8-9(6)2/h4H,3H2,1-2H3
InChIKey
WYIBEJSJURTLIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
35.62
TPSA
47.78

LogP / Solubility

WLOGP
0.41
MLOGP
0.35
XLogP3
0.5
Consensus LogP
0.42
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us