Name: Name:5-phenyl-1,2,4-triazin-3-amine
Brand: Angene
SKU: AG01A8G9
Rating: 90 (10 reviews)

5-phenyl-1,2,4-triazin-3-amine

CAS No.:

942-60-9

Catalog Number:

AG01A8G9

Molecular Formula:

C9H8N4

Molecular Weight:

172.1866

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Product Description

Catalog Number:

AG01A8G9

Chemical Name:

5-phenyl-1,2,4-triazin-3-amine

CAS Number:

942-60-9

Molecular Formula:

C9H8N4

Molecular Weight:

172.1866

MDL Number:

MFCD01679188

IUPAC Name:

5-phenyl-1,2,4-triazin-3-amine

InChI:

InChI=1S/C9H8N4/c10-9-12-8(6-11-13-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)

InChI Key:

IJXBFQUBVHTXGX-UHFFFAOYSA-N

SMILES:

Nc1nncc(n1)c1ccccc1

NSC Number:

98929

Properties

Complexity:

156

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.191g/mol

Monoisotopic Mass:

172.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design.	Journal of medicinal chemistry 20120308

Properties