CAS RN: 1207755-03-0
3-bromo-1H-1,2,4-triazole-5-carboxamide(SALTDATA: FREE)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1207755-03-0
- Purity/Analytical Methods: >99.0%
1207755-03-0 / 5-bromo-1H-1,2,4-triazole-3-carboxamide
5-bromo-1H-1,2,4-triazole-3-carboxamide | DTXSID30679607 | RefChem:301456
Basic Information
CAS
1207755-03-0
Multi CAS
Yes
Molecular Formula
C3H3BrN4O
Molecular Weight
190.990000
Exact Mass
189.949020
SMILES
C1(=NNC(=N1)Br)C(=O)N
InChI
InChI=1S/C3H3BrN4O/c4-3-6-2(1(5)9)7-8-3/h(H2,5,9)(H,6,7,8)
InChIKey
HDLLCASEDGLLHH-UHFFFAOYSA-N
Synonyms
5-bromo-1H-1,2,4-triazole-3-carboxamide
DTXSID30679607
RefChem:301456
DTXCID50630356
3-bromo-1H-1,2,4-triazole-5-carboxamide
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
32.6
TPSA
84.66
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.29
XLogP3
0.2
Consensus LogP
-0.14
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12
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]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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