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Home > Other Heterocycles > 86927-78-8
86927-78-8 | 3-[(4-METHOXYPHENYL)METHYL]-7-METHYL-3,5,8,9-TETRAZABICYCLO[4.3.0]NONA -4,6,9-TRIEN-2-ONE
CAS No: 86927-78-8 Catalog No: AG004L9Z MDL No:
Product Description
Catalog Number:
AG004L9Z
Chemical Name:
3-[(4-METHOXYPHENYL)METHYL]-7-METHYL-3,5,8,9-TETRAZABICYCLO[4.3.0]NONA -4,6,9-TRIEN-2-ONE
CAS Number:
86927-78-8
Molecular Formula:
C14H14N4O2
Molecular Weight:
270.2866
IUPAC Name:
6-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C14H14N4O2/c1-9-12-13(17-16-9)14(19)18(8-15-12)7-10-3-5-11(20-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,16,17)
InChI Key:
DIGXAMHVOSPHFA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cnc2c(c1=O)n[nH]c2C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.292g/mol
Monoisotopic Mass:
270.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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