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Home > Pyridines > 894852-27-8
894852-27-8 | 1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-3-one
CAS No: 894852-27-8 Catalog No: AG00IFQX MDL No:MFCD18836785
Product Description
Catalog Number:
AG00IFQX
Chemical Name:
1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-3-one
CAS Number:
894852-27-8
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD18836785
IUPAC Name:
1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-3-one
InChI:
InChI=1S/C8H9N3O/c12-7-5-11-8-6(4-10-7)2-1-3-9-8/h1-3H,4-5H2,(H,9,11)(H,10,12)
InChI Key:
UEWFRJPQCMSYDP-UHFFFAOYSA-N
SMILES:
O=C1CNc2c(CN1)cccn2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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