1,2,4-Triazole sodium

Cat. No.: PI41253218

Product Details Other Identifiers Computed Properties

CAS	41253-21-8
Synonyms	Sodium 1,2,4-triazol-1-ide
Purity	95%
Molecular Formula	C2H2N3Na
Molecular Weight	91.05
Molar Refractivity	15.35

Pubchem ID	4649906
InChI Key	NVMNEWNGLGACBB-UHFFFAOYSA-N
MDL Number	MFCD00044437

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	0
Topological Polar Surface Area	38.67 Å²
Heavy Atom Count	6
Aromatic Heavy Atoms Number	5
Fraction Csp3	0.0
Log Po/w (iLOGP)	-5.38
Log Po/w (XLOGP3)	-0.01
Log Po/w (WLOGP)	-0.57
Log Po/w (MLOGP)	-1.1
Log Po/w (SILICOS-IT)	1.21
Consensus Log Po/w	-1.17
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.86 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.16

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