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CAS 19230-71-8 4-Methyl-1H-1,2,3-triazole molecular structure lightbox
CAS RN: 19230-71-8

4-Methyl-1H-1,2,3-triazole

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Batchno.20260516 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19230-71-8
  • Purity/Analytical Methods: >99.0%
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19230-71-8 / 4-methyl-2H-triazole

Standard CAS: 19230-71-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19230-71-8
Multi CAS
No
Molecular Formula
C3H5N3
Molecular Weight
83.090000
Exact Mass
83.048347
SMILES
CC1=NNN=C1
InChI
InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)
InChIKey
GVSNQMFKEPBIOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
21.12
TPSA
41.57

LogP / Solubility

WLOGP
0.11
MLOGP
0.09
Consensus LogP
0.07
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very 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)
-3.15

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)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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