1H-1,2,4-Triazole-1-carboximidamide hydrochloride

Cat. No.: PI19503265

Product Details Other Identifiers Computed Properties

CAS	19503-26-5
Purity	97%
Molecular Formula	C3H6ClN5
Molecular Weight	147.57
Molar Refractivity	34.55

Pubchem ID	16218515
InChI Key	JDDXNENZFOOLTP-UHFFFAOYSA-N
MDL Number	MFCD03095468

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	80.58 Å²
Heavy Atom Count	9
Aromatic Heavy Atoms Number	5
Fraction Csp3	0.0
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	0.2
Log Po/w (WLOGP)	-0.18
Log Po/w (MLOGP)	-0.82
Log Po/w (SILICOS-IT)	-0.96
Consensus Log Po/w	-0.35
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.06 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.23

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