Name: Name:1-BENZYL-1,2,4-TRIAZOLE
Brand: Angene
SKU: AG00E9EE
Rating: 90 (10 reviews)

1-BENZYL-1,2,4-TRIAZOLE

CAS No.:

6085-94-5

Catalog Number:

AG00E9EE

Molecular Formula:

C9H9N3

Molecular Weight:

159.1879

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Product Description

Catalog Number:

AG00E9EE

Chemical Name:

1-BENZYL-1,2,4-TRIAZOLE

CAS Number:

6085-94-5

Molecular Formula:

C9H9N3

Molecular Weight:

159.1879

MDL Number:

MFCD00227141

IUPAC Name:

1-benzyl-1,2,4-triazole

InChI:

InChI=1S/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2

InChI Key:

BNWQEHYYXTVKOF-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)Cn1cncn1

Properties

Complexity:

132

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.192g/mol

Monoisotopic Mass:

159.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Synthesis and structure-activity relationship of 1- and 2-substituted-1,2,3-triazole letrozole-based analogues as aromatase inhibitors.	European journal of medicinal chemistry 20110901

Properties