3-Methyl-1H-1,2,4-triazole

Name: 3-Methyl-1H-1,2,4-triazole
SKU: PI7170016
Rating: 5 (1 reviews)

Cat. No.: PI7170016

Product Details Other Identifiers Computed Properties

CAS	7170-01-6
Purity	98%
Molecular Formula	C3H5N3
Molecular Weight	83.09
Molar Refractivity	21.35

Pubchem ID	305560
InChI Key	PZKFSRWSQOQYNR-UHFFFAOYSA-N
MDL Number	MFCD00233931

Aromatic Heavy Atoms Number	5
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	0.11
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.33
Ghose	None
GI Absorption	High
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.2 cm/s
Log Po/w (iLOGP)	0.32
Log Po/w (MLOGP)	-0.58
Log Po/w (SILICOS-IT)	1.23
Log Po/w (WLOGP)	0.11
Log Po/w (XLOGP3)	-0.55
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	0
Synthetic Accessibility	1.29
Topological Polar Surface Area	41.57 Å²
Veber	0.0

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