AG003AJ5

Name: 3-Benzyl-4,5-dihydro-1h-1,2,4-triazol-5-one
Brand: Angene Chemical
SKU: AG003AJ5

1078-59-7 | 3-Benzyl-4,5-dihydro-1h-1,2,4-triazol-5-one

AG003AJ5

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CAS Number	1078-59-7
Catalog Number	AG003AJ5(AGN-PC-0JQ0ET)
Chemical Name	3-Benzyl-4,5-dihydro-1h-1,2,4-triazol-5-one
IUPAC Name	3-benzyl-1,4-dihydro-1,2,4-triazol-5-one
InChI	InChI=1S/C9H9N3O/c13-9-10-8(11-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)
InChI Key	BWVIJZMNBPNLNG-UHFFFAOYSA-N
MDL Number	MFCD01086907
Molecular Formula	C9H9N3O
Molecular Weight	175.1873
NSC Number	678390
SMILES	O=C1NC(CC2=CC=CC=C2)=NN1
Synonyms	NSC678390, 5-Benzyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 1078-59-7, AC1L8RO4, CHEMBL1965237, SCHEMBL12474423, CTK8D2188, AKOS013587816, NSC-678390, NCI60_028063, 3-Benzyl-1H-1,2,4-triazol-5(4H)-one, 3-benzyl-1,4-dihydro-1,2,4-triazol-5-one, 5-benzyl-1,2-dihydro-1,2,4-triazol-3-one, 1,2-Dihydro-5-(phenylmethyl)-3H-1,2,4-triazol-3-one, CID386420,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.075g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	175.191g/mol
Monoisotopic Mass	175.075g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited