Name: Name:1-(chloromethyl)-4,7-dimethyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Brand: Angene
SKU: AG019UB6
Rating: 90 (10 reviews)

1-(chloromethyl)-4,7-dimethyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

CAS No.:

1114824-01-9

Catalog Number:

AG019UB6

Molecular Formula:

C12H11ClN4O

Molecular Weight:

262.6949

Catalog Number:

AG019UB6

Chemical Name:

1-(chloromethyl)-4,7-dimethyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

CAS Number:

1114824-01-9

Molecular Formula:

C12H11ClN4O

Molecular Weight:

262.6949

MDL Number:

MFCD11839771

IUPAC Name:

1-(chloromethyl)-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

InChI:

InChI=1S/C12H11ClN4O/c1-7-3-4-9-8(5-7)11(18)16(2)12-15-14-10(6-13)17(9)12/h3-5H,6H2,1-2H3

InChI Key:

UNYWTFLMCPXNEI-UHFFFAOYSA-N

SMILES:

ClCc1nnc2n1c1ccc(cc1c(=O)n2C)C

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.697g/mol

Monoisotopic Mass:

262.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3