5-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-amine

Cat. No.: PI1010120554

Product Details Other Identifiers Computed Properties

CAS	1010120-55-4
Purity	98%
Molecular Formula	C6H5BrN4
Molecular Weight	213.04
Molar Refractivity	45.09

Pubchem ID	25215939
InChI Key	TVGFHUIJNZRKFW-UHFFFAOYSA-N
MDL Number	MFCD11655928

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	56.21 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	9
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.53
Log Po/w (XLOGP3)	1.42
Log Po/w (WLOGP)	1.08
Log Po/w (MLOGP)	1.58
Log Po/w (SILICOS-IT)	0.45
Consensus Log Po/w	1.21
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.59 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.14

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