Name: Name:5-Phenyl-4-(1H-1,2,4-triazol-1-yl)cyclohexa-1,3-dione
Brand: Angene
SKU: AG00GVLA
Rating: 90 (10 reviews)

5-Phenyl-4-(1H-1,2,4-triazol-1-yl)cyclohexa-1,3-dione

CAS No.:

886361-84-8

Catalog Number:

AG00GVLA

Molecular Formula:

C14H13N3O2

Molecular Weight:

255.2719

Catalog Number:

AG00GVLA

Chemical Name:

5-Phenyl-4-(1H-1,2,4-triazol-1-yl)cyclohexa-1,3-dione

CAS Number:

886361-84-8

Molecular Formula:

C14H13N3O2

Molecular Weight:

255.2719

MDL Number:

MFCD06411615

IUPAC Name:

5-phenyl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione

InChI:

InChI=1S/C14H13N3O2/c18-11-6-12(10-4-2-1-3-5-10)14(13(19)7-11)17-9-15-8-16-17/h1-5,8-9,12,14H,6-7H2

InChI Key:

HHERVNGKLVPCLC-UHFFFAOYSA-N

SMILES:

O=C1CC(=O)C(C(C1)c1ccccc1)n1ncnc1

Complexity:

366

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.277g/mol

Monoisotopic Mass:

255.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4