200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 74414-60-1
74414-60-1 | 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-methoxy-3-phenyl-
CAS No: 74414-60-1 Catalog No: AG005LN7 MDL No:
Product Description
Catalog Number:
AG005LN7
Chemical Name:
3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-methoxy-3-phenyl-
CAS Number:
74414-60-1
Molecular Formula:
C11H9N5O
Molecular Weight:
227.2221
IUPAC Name:
7-methoxy-3-phenyltriazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C11H9N5O/c1-17-11-9-10(12-7-13-11)16(15-14-9)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
ORJCQHJMHDOOPY-UHFFFAOYSA-N
SMILES:
COc1ncnc2c1nnn2c1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.227g/mol
Monoisotopic Mass:
227.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.