Name: Name:4-benzyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Brand: Angene
SKU: AG01C30O
Rating: 90 (10 reviews)

4-benzyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:

90840-19-0

Catalog Number:

AG01C30O

Molecular Formula:

C10H11N3O

Molecular Weight:

189.2138

Catalog Number:

AG01C30O

Chemical Name:

4-benzyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS Number:

90840-19-0

Molecular Formula:

C10H11N3O

Molecular Weight:

189.2138

MDL Number:

MFCD22393499

IUPAC Name:

4-benzyl-3-methyl-1H-1,2,4-triazol-5-one

InChI:

InChI=1S/C10H11N3O/c1-8-11-12-10(14)13(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)

InChI Key:

MXIQZWYHVWJYIP-UHFFFAOYSA-N

SMILES:

Cc1n[nH]c(=O)n1Cc1ccccc1

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.218g/mol

Monoisotopic Mass:

189.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9