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Home > Imidazoles > 1421604-86-5
1421604-86-5 | 1-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]imidazolidine-2,4,5-trione hydrochloride
CAS No: 1421604-86-5 Catalog No: AG01A184 MDL No:MFCD22392207
Product Description
Catalog Number:
AG01A184
Chemical Name:
1-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]imidazolidine-2,4,5-trione hydrochloride
CAS Number:
1421604-86-5
Molecular Formula:
C8H10ClN5O3
Molecular Weight:
259.6497
MDL Number:
MFCD22392207
IUPAC Name:
1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazolidine-2,4,5-trione;hydrochloride
InChI:
InChI=1S/C8H9N5O3.ClH/c1-12-4-9-11-5(12)2-3-13-7(15)6(14)10-8(13)16;/h4H,2-3H2,1H3,(H,10,14,16);1H
InChI Key:
AJMSTPNMJYQZRL-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=O)N1CCc1nncn1C.Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.65g/mol
Monoisotopic Mass:
259.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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