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Home > Pyridines > 1461713-85-8
1461713-85-8 | 3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS No: 1461713-85-8 Catalog No: AG01A6OK MDL No:MFCD25371859
Product Description
Catalog Number:
AG01A6OK
Chemical Name:
3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS Number:
1461713-85-8
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD25371859
IUPAC Name:
3-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C9H13N3O/c1-2-12-6-11-8-5-10-4-3-7(8)9(12)13/h6,10H,2-5H2,1H3
InChI Key:
WOPBCXIYUHGIAN-UHFFFAOYSA-N
SMILES:
CCn1cnc2c(c1=O)CCNC2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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