[email protected]
CAS 1129540-72-2 1-(4-AMINO-PHENYL)-3-BROMO-1,2,4-TRIAZOLE molecular structure lightbox
CAS RN: 1129540-72-2

1-(4-AMINO-PHENYL)-3-BROMO-1,2,4-TRIAZOLE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINA927398
GET A QUOTE

1129540-72-2 / 4-(3-bromo-1,2,4-triazol-1-yl)aniline

4-(3-bromo-1H-1,2,4-triazol-1-yl)aniline | 1-(4-AMINO-PHENYL)-3-BROMO-1,2,4-TRIAZOLE | 4-(3-bromo-1,2,4-triazol-1-yl)aniline

Standard CAS: 1129540-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1129540-72-2
Multi CAS
No
Molecular Formula
C8H7BrN4
Molecular Weight
239.070000
Exact Mass
237.985410
SMILES
C1=CC(=CC=C1N)N2C=NC(=N2)Br
InChI
InChI=1S/C8H7BrN4/c9-8-11-5-13(12-8)7-3-1-6(10)2-4-7/h1-5H,10H2
InChIKey
GYJPUYXXOGKMEE-UHFFFAOYSA-N
Synonyms
4-(3-bromo-1H-1,2,4-triazol-1-yl)aniline 1-(4-AMINO-PHENYL)-3-BROMO-1,2,4-TRIAZOLE 4-(3-bromo-1,2,4-triazol-1-yl)aniline MFCD15525418 4-(3-Bromo-1H-1,2,4-triazol-1-yl)benzenamine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.47
TPSA
56.73

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
2
Consensus LogP
1.68
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us