Name: Name:3-(2H-1,2,3-triazol-4-yl)aniline
Brand: Angene
SKU: AG01AEVH
Rating: 90 (10 reviews)

3-(2H-1,2,3-triazol-4-yl)aniline

CAS No.:

876343-39-4

Catalog Number:

AG01AEVH

Molecular Formula:

C8H8N4

Molecular Weight:

160.1759

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Product Description

Catalog Number:

AG01AEVH

Chemical Name:

3-(2H-1,2,3-triazol-4-yl)aniline

CAS Number:

876343-39-4

Molecular Formula:

C8H8N4

Molecular Weight:

160.1759

MDL Number:

MFCD09035300

IUPAC Name:

3-(2H-triazol-4-yl)aniline

InChI:

InChI=1S/C8H8N4/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,9H2,(H,10,11,12)

InChI Key:

WSRYWQPIUCQKLN-UHFFFAOYSA-N

SMILES:

Nc1cccc(c1)c1n[nH]nc1

Properties

Complexity:

150

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.18g/mol

Monoisotopic Mass:

160.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.	Journal of medicinal chemistry 20120614
4-Aryl-1,2,3-triazole: a novel template for a reversible methionine aminopeptidase 2 inhibitor, optimized to inhibit angiogenesis in vivo.	Journal of medicinal chemistry 20050908