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CAS 1183253-21-5 Methyl 6-(Cyclopropylamino)pyridazine-3-carboxylate molecular structure lightbox
CAS RN: 1183253-21-5

Methyl 6-(Cyclopropylamino)pyridazine-3-carboxylate

  • Product code: SSC-018107
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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 1183253-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1183253-21-5 / methyl 6-(cyclopropylamino)pyridazine-3-carboxylate

methyl 6-(cyclopropylamino)pyridazine-3-carboxylate | MFCD12152727 | methyl6-(cyclopropylamino)pyridazine-3-carboxylate

Standard CAS: 1183253-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1183253-21-5
Multi CAS
No
Molecular Formula
C9H11N3O2
Molecular Weight
193.200000
Exact Mass
193.085127
SMILES
COC(=O)C1=NN=C(C=C1)NC2CC2
InChI
InChI=1S/C9H11N3O2/c1-14-9(13)7-4-5-8(12-11-7)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,10,12)
InChIKey
MLOPZFQAFNLXHH-UHFFFAOYSA-N
Synonyms
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate MFCD12152727 methyl6-(cyclopropylamino)pyridazine-3-carboxylate CHEMBL4525023 IXB25321

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.02
TPSA
64.11

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.9
Consensus LogP
0.83
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.3

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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