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CAS 61795-72-0 1-methyl-1,4-dihydro-5H-tetrazol-5-one molecular structure lightbox
CAS RN: 61795-72-0

1-methyl-1,4-dihydro-5H-tetrazol-5-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-170731
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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 61795-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

61795-72-0 / 4-methyl-1H-tetrazol-5-one

Standard CAS: 61795-72-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61795-72-0
Multi CAS
Yes
Molecular Formula
C2H4N4O
Molecular Weight
100.080000
Exact Mass
100.038511
InChI
InChI=1S/C2H4N4O/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)
InChIKey
AOKKGXXYBPBKDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
21.62
TPSA
63.57

LogP / Solubility

WLOGP
-1.5
MLOGP
-1.33
XLogP3
0.1
Consensus LogP
-0.91
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
0.7
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.93
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.39

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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