Name: Name:4-methyl-2-(1H-1,2,4-triazol-1-yl)cyclohexan-1-one
Brand: Angene
SKU: AG01BGGN
Rating: 90 (10 reviews)

4-methyl-2-(1H-1,2,4-triazol-1-yl)cyclohexan-1-one

CAS No.:

1788567-07-6

Catalog Number:

AG01BGGN

Molecular Formula:

C9H13N3O

Molecular Weight:

179.2190

Catalog Number:

AG01BGGN

Chemical Name:

4-methyl-2-(1H-1,2,4-triazol-1-yl)cyclohexan-1-one

CAS Number:

1788567-07-6

Molecular Formula:

C9H13N3O

Molecular Weight:

179.2190

MDL Number:

MFCD28125123

IUPAC Name:

4-methyl-2-(1,2,4-triazol-1-yl)cyclohexan-1-one

InChI:

InChI=1S/C9H13N3O/c1-7-2-3-9(13)8(4-7)12-6-10-5-11-12/h5-8H,2-4H2,1H3

InChI Key:

CWOHYQXTCDPAMI-UHFFFAOYSA-N

SMILES:

CC1CC(C(=O)CC1)n1cncn1

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.223g/mol

Monoisotopic Mass:

179.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2