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177084-94-5 | Urea, N-(4-acetyl-1H-1,2,3-triazol-1-yl)-
CAS No: 177084-94-5 Catalog No: AG00253O MDL No:
Product Description
Catalog Number:
AG00253O
Chemical Name:
Urea, N-(4-acetyl-1H-1,2,3-triazol-1-yl)-
CAS Number:
177084-94-5
Molecular Formula:
C5H7N5O2
Molecular Weight:
169.1414
IUPAC Name:
(4-acetyltriazol-1-yl)urea
InChI:
InChI=1S/C5H7N5O2/c1-3(11)4-2-10(9-7-4)8-5(6)12/h2H,1H3,(H3,6,8,12)
InChI Key:
OJGIZDBSOHCJLJ-UHFFFAOYSA-N
SMILES:
NC(=O)Nn1nnc(c1)C(=O)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.144g/mol
Monoisotopic Mass:
169.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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