CAS RN: 1261268-96-5
1H-IMIDAZOL-5-AMINE HYDROCHLORIDE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS1261268-96-5
- Purity/Analytical Methods: >99.0%
1261268-96-5 / 1H-imidazol-5-amine;hydrochloride
Basic Information
CAS
1261268-96-5
Multi CAS
No
Molecular Formula
C3H6ClN3
Molecular Weight
119.550000
Exact Mass
119.025025
SMILES
C1=C(NC=N1)N.Cl
InChI
InChI=1S/C3H5N3.ClH/c4-3-1-5-2-6-3;/h1-2H,4H2,(H,5,6);1H
InChIKey
MEORCLTVBRRJIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.25
TPSA
54.7
LogP / Solubility
WLOGP
0.41
MLOGP
0.35
XLogP3
0.41
Consensus LogP
0.39
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-3.16
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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