![CAS 1082471-97-3 3-Cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1082471-97-3.gif)
CAS RN: 1082471-97-3
3-Cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
- Product code: SSC-009521
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1082471-97-3 / 3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
3-Cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine | 3-cyclopropyl-(1,2,4)triazolo(4,3-a)pyridin-6-amine | RefChem:500906
Basic Information
CAS
1082471-97-3
Multi CAS
No
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
SMILES
C1CC1C2=NN=C3N2C=C(C=C3)N
InChI
InChI=1S/C9H10N4/c10-7-3-4-8-11-12-9(6-1-2-6)13(8)5-7/h3-6H,1-2,10H2
InChIKey
VSJCADKPSPLMCB-UHFFFAOYSA-N
Synonyms
3-Cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
3-cyclopropyl-(1,2,4)triazolo(4,3-a)pyridin-6-amine
RefChem:500906
963-375-8
MFCD11597188
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.37
TPSA
56.21
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.1
Consensus LogP
1.11
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.94
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]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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