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88141-06-4 | 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-(phenylmethyl)-, hydrazone
CAS No: 88141-06-4 Catalog No: AG004F25 MDL No:
Product Description
Catalog Number:
AG004F25
Chemical Name:
3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-(phenylmethyl)-, hydrazone
CAS Number:
88141-06-4
Molecular Formula:
C9H11N5
Molecular Weight:
189.2171
IUPAC Name:
(5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine
InChI:
InChI=1S/C9H11N5/c10-12-9-11-8(13-14-9)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H2,11,12,13,14)
InChI Key:
XRYVBTZTDDFFNF-UHFFFAOYSA-N
SMILES:
NN=c1nc([nH][nH]1)Cc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.222g/mol
Monoisotopic Mass:
189.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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