Name: Name:5-amino-3-(methylsulfanyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
Brand: Angene
SKU: AG01BEKC
Rating: 90 (10 reviews)

5-amino-3-(methylsulfanyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile

CAS No.:

1152621-99-2

Catalog Number:

AG01BEKC

Molecular Formula:

C10H9N5S

Molecular Weight:

231.2770

Catalog Number:

AG01BEKC

Chemical Name:

5-amino-3-(methylsulfanyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile

CAS Number:

1152621-99-2

Molecular Formula:

C10H9N5S

Molecular Weight:

231.2770

MDL Number:

MFCD11208105

IUPAC Name:

5-amino-3-methylsulfanyl-1-pyridin-2-ylpyrazole-4-carbonitrile

InChI:

InChI=1S/C10H9N5S/c1-16-10-7(6-11)9(12)15(14-10)8-4-2-3-5-13-8/h2-5H,12H2,1H3

InChI Key:

ITFIKIKINBTIEN-UHFFFAOYSA-N

SMILES:

CSc1nn(c(c1C#N)N)c1ccccn1

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.277g/mol

Monoisotopic Mass:

231.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9