Name: Name:3-amino-4-(3,4-difluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
Brand: Angene
SKU: AG01EJLB
Rating: 90 (10 reviews)

3-amino-4-(3,4-difluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

CAS No.:

1334244-24-4

Catalog Number:

AG01EJLB

Molecular Formula:

C16H16F5N5O

Molecular Weight:

389.3232

Catalog Number:

AG01EJLB

Chemical Name:

3-amino-4-(3,4-difluorophenyl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

CAS Number:

1334244-24-4

Molecular Formula:

C16H16F5N5O

Molecular Weight:

389.3232

MDL Number:

MFCD31616077

IUPAC Name:

3-amino-4-(3,4-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

InChI:

InChI=1S/C16H16F5N5O/c17-11-2-1-9(6-12(11)18)5-10(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21/h1-2,6,10H,3-5,7-8,22H2

InChI Key:

VZQYRRVZSLWCAA-UHFFFAOYSA-N

SMILES:

NC(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(c(c1)F)F

Complexity:

536

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

389.128g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.33g/mol

Monoisotopic Mass:

389.128g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6