Name: Name:Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-(methylthio)-
Brand: Angene
SKU: AG000K96
Rating: 90 (10 reviews)

Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-(methylthio)-

CAS No.:

1232815-50-7

Catalog Number:

AG000K96

Molecular Formula:

C7H7N3OS

Molecular Weight:

181.2150

Catalog Number:

AG000K96

Chemical Name:

Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-(methylthio)-

CAS Number:

1232815-50-7

Molecular Formula:

C7H7N3OS

Molecular Weight:

181.2150

MDL Number:

MFCD22421715

IUPAC Name:

2-methylsulfanyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

InChI:

InChI=1S/C7H7N3OS/c1-12-7-8-6(11)5-3-2-4-10(5)9-7/h2-4H,1H3,(H,8,9,11)

InChI Key:

FBQWUZRBCRGRAU-UHFFFAOYSA-N

SMILES:

CSc1nc(=O)c2n([nH]1)ccc2

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.213g/mol

Monoisotopic Mass:

181.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1