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Home > Imidazoles > 1701578-87-1
1701578-87-1 | 5-{[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]methyl}imidazolidine-2,4-dione
CAS No: 1701578-87-1 Catalog No: AG01AGB4 MDL No:MFCD28124990
Product Description
Catalog Number:
AG01AGB4
Chemical Name:
5-{[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]methyl}imidazolidine-2,4-dione
CAS Number:
1701578-87-1
Molecular Formula:
C9H13N5O2
Molecular Weight:
223.2318
MDL Number:
MFCD28124990
IUPAC Name:
5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C9H13N5O2/c1-5(2)14-4-6(12-13-14)3-7-8(15)11-9(16)10-7/h4-5,7H,3H2,1-2H3,(H2,10,11,15,16)
InChI Key:
BGPJPKNVFRGQJH-UHFFFAOYSA-N
SMILES:
CC(n1nnc(c1)CC1NC(=O)NC1=O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.236g/mol
Monoisotopic Mass:
223.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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