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148312-49-6 | 3-Azetidinone, 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-
CAS No: 148312-49-6 Catalog No: AG001FLF MDL No:
Product Description
Catalog Number:
AG001FLF
Chemical Name:
3-Azetidinone, 1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-
CAS Number:
148312-49-6
Molecular Formula:
C12H15N5O
Molecular Weight:
245.2804
IUPAC Name:
1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-one
InChI:
InChI=1S/C12H15N5O/c18-9-5-17(6-9)12-15-10(7-1-2-7)14-11(16-12)13-8-3-4-8/h7-8H,1-6H2,(H,13,14,15,16)
InChI Key:
KTDIVPQKCJMTIJ-UHFFFAOYSA-N
SMILES:
O=C1CN(C1)c1nc(NC2CC2)nc(n1)C1CC1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.286g/mol
Monoisotopic Mass:
245.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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