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199014-16-9 | 1H-1,2,4-Triazole-5-methanamine, 1-[(4-methoxyphenyl)methyl]-
CAS No: 199014-16-9 Catalog No: AG002BVU MDL No:MFCD17011889
Product Description
Catalog Number:
AG002BVU
Chemical Name:
1H-1,2,4-Triazole-5-methanamine, 1-[(4-methoxyphenyl)methyl]-
CAS Number:
199014-16-9
Molecular Formula:
C11H14N4O
Molecular Weight:
218.2551
MDL Number:
MFCD17011889
IUPAC Name:
[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
InChI:
InChI=1S/C11H14N4O/c1-16-10-4-2-9(3-5-10)7-15-11(6-12)13-8-14-15/h2-5,8H,6-7,12H2,1H3
InChI Key:
NYEZJNZKVYUJRV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1ncnc1CN
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.26g/mol
Monoisotopic Mass:
218.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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