CAS RN: 1368171-75-8
2-Pyridinamine, 3-(1-methyl-1H-pyrazol-3-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1368171-75-8
- Purity/Analytical Methods: >99.0%
1368171-75-8 / 3-(1-methylpyrazol-3-yl)pyridin-2-amine
Basic Information
CAS
1368171-75-8
Multi CAS
No
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
SMILES
CN1C=CC(=N1)C2=C(N=CC=C2)N
InChI
InChI=1S/C9H10N4/c1-13-6-4-8(12-13)7-3-2-5-11-9(7)10/h2-6H,1H3,(H2,10,11)
InChIKey
VCXFASXHYNDHFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.85
TPSA
56.73
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
0.5
Consensus LogP
0.83
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.03
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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