Name: Name:1-{5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
Brand: Angene
SKU: AG01BBZB
Rating: 90 (10 reviews)

1-{5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one

CAS No.:

1803595-71-2

Catalog Number:

AG01BBZB

Molecular Formula:

C7H9N5O

Molecular Weight:

179.1793

Catalog Number:

AG01BBZB

Chemical Name:

1-{5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one

CAS Number:

1803595-71-2

Molecular Formula:

C7H9N5O

Molecular Weight:

179.1793

MDL Number:

MFCD28714666

IUPAC Name:

1-(5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl)ethanone

InChI:

InChI=1S/C7H9N5O/c1-4-6(5(2)13)3-12-7(8-4)9-10-11-12/h3H2,1-2H3,(H,8,9,11)

InChI Key:

OCRFNVQNVZCITG-UHFFFAOYSA-N

SMILES:

CC1=C(Cn2c(N1)nnn2)C(=O)C

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.183g/mol

Monoisotopic Mass:

179.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2