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CAS 119581-52-1 4-Pyridazinecarbonitrile,3-amino-(9CI) molecular structure lightbox
CAS RN: 119581-52-1

4-Pyridazinecarbonitrile,3-amino-(9CI)

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 100mg In stock Shanghai Inquiry
Batchno.20251101 1g In stock Shanghai Inquiry
Batchno.20250802 250mg In stock Shanghai Inquiry
Batchno.20250527 250mg / 1g Confirm by inquiry Shandong Inquiry
Batchno.20250903 50mg In stock Shanghai Inquiry
Batchno.20260604 5g In stock Shanghai Inquiry
  • Product code: SSC-020118
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 119581-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

119581-52-1 / 3-aminopyridazine-4-carbonitrile

3-aminopyridazine-4-carbonitrile | 4-Pyridazinecarbonitrile, 3-amino- | 3-amino-4-pyridazinecarbonitrile

Standard CAS: 119581-52-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119581-52-1
Multi CAS
Yes
Molecular Formula
C5H4N4
Molecular Weight
120.110000
Exact Mass
120.043596
SMILES
C1=CN=NC(=C1C#N)N
InChI
InChI=1S/C5H4N4/c6-3-4-1-2-8-9-5(4)7/h1-2H,(H2,7,9)
InChIKey
CKCPKMCDMNLLQQ-UHFFFAOYSA-N
Synonyms
3-aminopyridazine-4-carbonitrile 4-Pyridazinecarbonitrile, 3-amino- 3-amino-4-pyridazinecarbonitrile MFCD18324663 4-Pyridazinecarbonitrile,3-amino-(9CI)

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
31.16
TPSA
75.59

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.07
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
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)
-3.5

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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