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Home > Pyridines > 1158403-10-1
1158403-10-1 | 7-(2-Hydroxyethyl)-9-phenylpyrido[4,3-d]-[1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
CAS No: 1158403-10-1 Catalog No: AG00HD2Y MDL No:MFCD13872802
Product Description
Catalog Number:
AG00HD2Y
Chemical Name:
7-(2-Hydroxyethyl)-9-phenylpyrido[4,3-d]-[1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
CAS Number:
1158403-10-1
Molecular Formula:
C16H13N5O2
Molecular Weight:
307.3067
MDL Number:
MFCD13872802
IUPAC Name:
11-(2-hydroxyethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
InChI:
InChI=1S/C16H13N5O2/c22-9-8-20-7-6-12-13(15(20)23)14(11-4-2-1-3-5-11)21-16(19-12)17-10-18-21/h1-7,10,22H,8-9H2
InChI Key:
IVCSLEMFLXESBN-UHFFFAOYSA-N
SMILES:
OCCn1ccc2c(c1=O)c(c1ccccc1)n1c(n2)ncn1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.107g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.313g/mol
Monoisotopic Mass:
307.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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