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CAS 1184482-79-8 Methyl 6-(Isopropylamino)pyridazine-3-carboxylate molecular structure lightbox
CAS RN: 1184482-79-8

Methyl 6-(Isopropylamino)pyridazine-3-carboxylate

  • Product code: SSC-018213
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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 1184482-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1184482-79-8 / methyl 6-(propan-2-ylamino)pyridazine-3-carboxylate

Methyl 6-(Isopropylamino)pyridazine-3-carboxylate | MFCD12152724 | methyl 6-[(propan-2-yl)amino]pyridazine-3-carboxylate

Standard CAS: 1184482-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1184482-79-8
Multi CAS
No
Molecular Formula
C9H13N3O2
Molecular Weight
195.220000
Exact Mass
195.100777
SMILES
CC(C)NC1=NN=C(C=C1)C(=O)OC
InChI
InChI=1S/C9H13N3O2/c1-6(2)10-8-5-4-7(11-12-8)9(13)14-3/h4-6H,1-3H3,(H,10,12)
InChIKey
GNBKGOIOZRYMFL-UHFFFAOYSA-N
Synonyms
Methyl 6-(Isopropylamino)pyridazine-3-carboxylate MFCD12152724 methyl 6-[(propan-2-yl)amino]pyridazine-3-carboxylate Methyl6-(Isopropylamino)pyridazine-3-carboxylate AC3113

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
52.13
TPSA
64.11

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.04
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-3.14

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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