CAS RN: 499132-20-6
1-Isopropyl-1H-1,2,3-triazole
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS499132-20-6
- Purity/Analytical Methods: >99.0%
499132-20-6 / 1-propan-2-yltriazole
Basic Information
CAS
499132-20-6
Multi CAS
No
Molecular Formula
C5H9N3
Molecular Weight
111.150000
Exact Mass
111.079647
InChI
InChI=1S/C5H9N3/c1-5(2)8-4-3-6-7-8/h3-5H,1-2H3
InChIKey
BSGWGQQMKGFUPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
30.41
TPSA
30.71
LogP / Solubility
WLOGP
0.86
MLOGP
0.75
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(2-METHYLQUINAZOLIN-4-YL)MORPHOLINE
- CAS RN: 499133-82-3
- Product Code: starshine_CAS499133-82-3
- Purity/Analytical method: >99.0%
-
2-BOC-6-METHOXY-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID
- CAS RN: 499139-27-4
- Product Code: SSC-156185
-
Boronic acid, B,B’,B’,B”’-(silanetetrayltetra-4,1-phenylene)tetrakis-
- CAS RN: 499142-74-4
- Product Code: starshine_CAS499142-74-4
- Purity/Analytical method: >99.0%
-
2-amino-3-cycloheptylpropanoic acid hydrochloride
- CAS RN: 499158-67-7
- Product Code: SSC-156186
-
-
ethyl 4-(2-chloropyriMidin-4-yl)benzoate
- CAS RN: 499195-60-7
- Product Code: starshine_CAS499195-60-7
- Purity/Analytical method: >99.0%
