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CAS 1225218-71-2 4-((4H-1,2,4-triazol-4-yl)methyl)piperidine molecular structure lightbox
CAS RN: 1225218-71-2

4-((4H-1,2,4-triazol-4-yl)methyl)piperidine

  • Product code: SSC-025465
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1225218-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1225218-71-2 / 4-(1,2,4-triazol-4-ylmethyl)piperidine

Standard CAS: 1225218-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1225218-71-2
Multi CAS
No
Molecular Formula
C8H14N4
Molecular Weight
166.220000
Exact Mass
166.121846
SMILES
C1CNCCC1CN2C=NN=C2
InChI
InChI=1S/C8H14N4/c1-3-9-4-2-8(1)5-12-6-10-11-7-12/h6-9H,1-5H2
InChIKey
ITPGEBNEESCNKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.62
TPSA
42.74

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
XLogP3
-0.3
Consensus LogP
0.07
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.54

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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