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29704-63-0 | 1H-1,2,3-Triazol-5-amine, 1,4-diphenyl-
CAS No: 29704-63-0 Catalog No: AG002Z69 MDL No:
Product Description
Catalog Number:
AG002Z69
Chemical Name:
1H-1,2,3-Triazol-5-amine, 1,4-diphenyl-
CAS Number:
29704-63-0
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
IUPAC Name:
3,5-diphenyltriazol-4-amine
InChI:
InChI=1S/C14H12N4/c15-14-13(11-7-3-1-4-8-11)16-17-18(14)12-9-5-2-6-10-12/h1-10H,15H2
InChI Key:
FUCABBOUCNJYAH-UHFFFAOYSA-N
SMILES:
Nc1c(nnn1c1ccccc1)c1ccccc1
NSC Number:
160865
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.278g/mol
Monoisotopic Mass:
236.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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