CAS 3049-45-4 | 4H-1,2,4-Triazol-4-amine, 3,5-diphenyl- | CAS Number 3049-45-4

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3049-45-4 | 4H-1,2,4-Triazol-4-amine, 3,5-diphenyl-

CAS No: 3049-45-4 Catalog No: AG0030CH MDL No:MFCD00450576

Product Description

Catalog Number:

AG0030CH

Chemical Name:

4H-1,2,4-Triazol-4-amine, 3,5-diphenyl-

CAS Number:

3049-45-4

Molecular Formula:

C14H12N4

Molecular Weight:

236.2719

MDL Number:

MFCD00450576

IUPAC Name:

3,5-diphenyl-1,2,4-triazol-4-amine

InChI:

InChI=1S/C14H12N4/c15-18-13(11-7-3-1-4-8-11)16-17-14(18)12-9-5-2-6-10-12/h1-10H,15H2

InChI Key:

DAZAXBYJPXKJJL-UHFFFAOYSA-N

SMILES:

Nn1c(nnc1c1ccccc1)c1ccccc1

NSC Number:

23819

Properties

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.278g/mol

Monoisotopic Mass:

236.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
3,5-Bis(4-meth-oxy-phen-yl)-4H-1,2,4-triazol-4-amine.	Acta crystallographica. Section E, Structure reports online 20100901
3,5-Bis(4-hy-droxy-phen-yl)-4H-1,2,4-triazol-4-amine monohydrate.	Acta crystallographica. Section E, Structure reports online 20100901
A second ortho-rhom-bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine.	Acta crystallographica. Section E, Structure reports online 20090901
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501