200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 86927-77-7
86927-77-7 | 7-METHYL-3-(1-PHENYLETHYL)-3,5,8,9-TETRAZABICYCLO[4.3.0]NONA-4,6,9-TRI EN-2-ONE
CAS No: 86927-77-7 Catalog No: AG004I57 MDL No:
Product Description
Catalog Number:
AG004I57
Chemical Name:
7-METHYL-3-(1-PHENYLETHYL)-3,5,8,9-TETRAZABICYCLO[4.3.0]NONA-4,6,9-TRI EN-2-ONE
CAS Number:
86927-77-7
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
IUPAC Name:
3-methyl-6-(1-phenylethyl)-2H-pyrazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C14H14N4O/c1-9-12-13(17-16-9)14(19)18(8-15-12)10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,17)
InChI Key:
IPBOGFHOJWRWIY-UHFFFAOYSA-N
SMILES:
CC(n1cnc2c(c1=O)n[nH]c2C)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.293g/mol
Monoisotopic Mass:
254.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
© 2019 Angene International Limited. All rights Reserved.