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

Name: 1H-1,2,4-Triazole-1-carboximidamide hydrochloride
SKU: PI19503265
Rating: 5 (1 reviews)

Catalog NumberPI19503265

CAS Number19503-26-5

CategoryAntineoplastics Intermediates

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

Product Details

Purity	97%
Molecular Formula	C3H6ClN5
Molecular Weight	147.57
Molar Refractivity	34.55

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Other Identifiers

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

Computed Properties

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

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