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CAS 105020-38-0 1H-1,2,3-Triazole-5-carboxylicacid,1-methyl-,methylester(9CI) molecular structure lightbox
CAS RN: 105020-38-0

1H-1,2,3-Triazole-5-carboxylicacid,1-methyl-,methylester(9CI)

  • Product code: SSC-006803
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 10g, 0.25g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 105020-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shanghai Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry

105020-38-0 / methyl 3-methyltriazole-4-carboxylate

Methyl 1-methyl-1H-1,2,3-triazole-5-carboxylate | DTXSID50547677 | RefChem:353349

Standard CAS: 105020-38-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105020-38-0
Multi CAS
Yes
Molecular Formula
C5H7N3O2
Molecular Weight
141.130000
Exact Mass
141.053826
SMILES
CN1C(=CN=N1)C(=O)OC
InChI
InChI=1S/C5H7N3O2/c1-8-4(3-6-7-8)5(9)10-2/h3H,1-2H3
InChIKey
FYMBUAMMFZJMJG-UHFFFAOYSA-N
Synonyms
Methyl 1-methyl-1H-1,2,3-triazole-5-carboxylate DTXSID50547677 RefChem:353349 DTXCID80498461 METHYL 1-METHYL-1,2,3-TRIAZOLE-5-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
32.34
TPSA
57.01

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.36
XLogP3
-0.1
Consensus LogP
-0.29
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-3.86

Drug-likeness / Medicinal Chemistry

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

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