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CAS 1353100-80-7 3-AMino-6-(aMinoMethyl)-1,2,4-triazin-5(4H)-one acetate molecular structure lightbox
CAS RN: 1353100-80-7

3-AMino-6-(aMinoMethyl)-1,2,4-triazin-5(4H)-one acetate

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100g In stock Shanghai Inquiry
Batchno.20260504 10g In stock Shanghai Inquiry
Batchno.20250921 1g In stock Shanghai Inquiry
Batchno.20251023 250mg In stock Shanghai Inquiry
Batchno.20260422 25g In stock Shanghai Inquiry
Batchno.20260504 5g In stock Shanghai Inquiry
  • Product code: SSC-043511
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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 1353100-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1353100-80-7 / acetic acid;3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one

Standard CAS: 1353100-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353100-80-7
Multi CAS
No
Molecular Formula
C6H11N5O3
Molecular Weight
201.180000
Exact Mass
201.086189
SMILES
CC(=O)O.C(C1=NN=C(NC1=O)N)N
InChI
InChI=1S/C4H7N5O.C2H4O2/c5-1-2-3(10)7-4(6)9-8-2;1-2(3)4/h1,5H2,(H3,6,7,9,10);1H3,(H,3,4)
InChIKey
WTKDLWWZLKCGRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
48.27
TPSA
147.98

LogP / Solubility

WLOGP
-1.7
MLOGP
-1.5
XLogP3
-1.7
Consensus LogP
-1.63
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.33
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)
-5.16

Drug-likeness / Medicinal Chemistry

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

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