200,000+ products from a single source!
sales@angenechem.com
87253-79-0 | 1H-1,2,4-Triazole-3,5-diamine, N-[(4-fluorophenyl)methyl]-
CAS No: 87253-79-0 Catalog No: AG004MKP MDL No:
Product Description
Catalog Number:
AG004MKP
Chemical Name:
1H-1,2,4-Triazole-3,5-diamine, N-[(4-fluorophenyl)methyl]-
CAS Number:
87253-79-0
Molecular Formula:
C9H10FN5
Molecular Weight:
207.2076
IUPAC Name:
3-N-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
InChI:
InChI=1S/C9H10FN5/c10-7-3-1-6(2-4-7)5-12-9-13-8(11)14-15-9/h1-4H,5H2,(H4,11,12,13,14,15)
InChI Key:
DWMZEXJSDVKUNM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CNc1n[nH]c(n1)N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.212g/mol
Monoisotopic Mass:
207.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. | Journal of medicinal chemistry 20090723 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.