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89151-71-3 | Urea, [5-(1-ethyl-1-methylpropyl)-1H-1,2,4-triazol-3-yl]-
CAS No: 89151-71-3 Catalog No: AG003XAD MDL No:
Product Description
Catalog Number:
AG003XAD
Chemical Name:
Urea, [5-(1-ethyl-1-methylpropyl)-1H-1,2,4-triazol-3-yl]-
CAS Number:
89151-71-3
Molecular Formula:
C9H17N5O
Molecular Weight:
211.2642
IUPAC Name:
[5-(3-methylpentan-3-yl)-1H-1,2,4-triazol-3-yl]urea
InChI:
InChI=1S/C9H17N5O/c1-4-9(3,5-2)6-11-8(14-13-6)12-7(10)15/h4-5H2,1-3H3,(H4,10,11,12,13,14,15)
InChI Key:
HJKSEKLNKDERRA-UHFFFAOYSA-N
SMILES:
CCC(c1[nH]nc(n1)NC(=O)N)(CC)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.143g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.269g/mol
Monoisotopic Mass:
211.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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