![CAS 1214900-87-4 3-a]pyridin-7-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1214900-87-4.gif)
CAS RN: 1214900-87-4
3-a]pyridin-7-aMine
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: starshine_CAS1214900-87-4
- Purity/Analytical Methods: >99.0%
1214900-87-4 / 3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
Basic Information
CAS
1214900-87-4
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
CC1=NN=C2N1C=CC(=C2)N
InChI
InChI=1S/C7H8N4/c1-5-9-10-7-4-6(8)2-3-11(5)7/h2-4H,8H2,1H3
InChIKey
MTVYVVIYPNDPDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.14
TPSA
56.21
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.9
Consensus LogP
0.69
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.18
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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