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17591-59-2 | 4H-1,2,4-Triazol-4-amine, 3,5-bis(phenylmethyl)-
CAS No: 17591-59-2 Catalog No: AG0021B4 MDL No:
Product Description
Catalog Number:
AG0021B4
Chemical Name:
4H-1,2,4-Triazol-4-amine, 3,5-bis(phenylmethyl)-
CAS Number:
17591-59-2
Molecular Formula:
C16H16N4
Molecular Weight:
264.3250
IUPAC Name:
3,5-dibenzyl-1,2,4-triazol-4-amine
InChI:
InChI=1S/C16H16N4/c17-20-15(11-13-7-3-1-4-8-13)18-19-16(20)12-14-9-5-2-6-10-14/h1-10H,11-12,17H2
InChI Key:
LEWRWCNIOPKNIL-UHFFFAOYSA-N
SMILES:
Nn1c(nnc1Cc1ccccc1)Cc1ccccc1
UNII:
OK8A3CCP06
NSC Number:
63161
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.332g/mol
Monoisotopic Mass:
264.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 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 |
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