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CAS 1206974-46-0 1H-Pyrazolo[4,3-b]pyridin-5-aMine molecular structure lightbox
CAS RN: 1206974-46-0

1H-Pyrazolo[4,3-b]pyridin-5-aMine

  • Product code: SSC-021812
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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 1206974-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1206974-46-0 / 1H-pyrazolo[4,5-b]pyridin-5-amine

5-Amino-1H-pyrazolo[4,3-b]pyridine | 5-Amino-1H-pyrazolo(4,3-b)pyridine | RefChem:532062

Standard CAS: 1206974-46-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1206974-46-0
Multi CAS
No
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
SMILES
C1=CC(=NC2=C1NN=C2)N
InChI
InChI=1S/C6H6N4/c7-6-2-1-4-5(9-6)3-8-10-4/h1-3H,(H2,7,9)(H,8,10)
InChIKey
QJFMBSNEWDAXCQ-UHFFFAOYSA-N
Synonyms
5-Amino-1H-pyrazolo[4,3-b]pyridine 5-Amino-1H-pyrazolo(4,3-b)pyridine RefChem:532062 806-636-2 1h-pyrazolo[4,3-b]pyridin-5-amine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.3
TPSA
67.59

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.2
Consensus LogP
0.4
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
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)
-3.15

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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