2-(2-Ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(3H)-one

Name: 2-(2-Ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(3H)-one
SKU: PI224789213
Rating: 5 (1 reviews)

Cat. No.: PI224789213

Product Details Other Identifiers Computed Properties

CAS	224789-21-3
Purity	95%
Molecular Formula	C17H20N4O2
Molecular Weight	312.37
Molar Refractivity	89.89

Pubchem ID	135406983
InChI Key	YRRWQMBIMZMVDB-UHFFFAOYSA-N
MDL Number	MFCD09833131

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	5
Topological Polar Surface Area	72.28 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.35
Log Po/w (iLOGP)	2.74
Log Po/w (XLOGP3)	3.14
Log Po/w (WLOGP)	2.74
Log Po/w (MLOGP)	2.67
Log Po/w (SILICOS-IT)	3.6
Consensus Log Po/w	2.98
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.98 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	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.3

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