exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Name: exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
SKU: PI423165075
Rating: 5 (1 reviews)

Catalog NumberPI423165075

CAS Number423165-07-5

CategoryAntivirals Intermediates

exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Product Details

Purity	95%
Molecular Formula	C13H22N4
Molecular Weight	234.34
Molar Refractivity	72.16

Download COA Download MSDS

Other Identifiers

Pubchem ID	11356762
InChI Key	CEIRCCADSFHOQD-FOSCPWQOSA-N
MDL Number	MFCD12912695

Computed Properties

Aromatic Heavy Atoms Number	5
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.83
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.85
Ghose	None
GI Absorption	High
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.57 cm/s
Log Po/w (iLOGP)	2.1
Log Po/w (MLOGP)	1.96
Log Po/w (SILICOS-IT)	1.67
Log Po/w (WLOGP)	1.78
Log Po/w (XLOGP3)	1.64
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	2
Synthetic Accessibility	4.21
Topological Polar Surface Area	42.74 Å²
Veber	0.0

* Our products are for research use only.

Get in Touch

We're glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description