Name: Name:1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N-oxide
Brand: Angene
SKU: AG002RHW
Rating: 90 (10 reviews)

1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N-oxide

CAS No.:

260435-42-5

Catalog Number:

AG002RHW

Molecular Formula:

C15H19N5O

Molecular Weight:

285.3443

Catalog Number:

AG002RHW

Chemical Name:

1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, N-oxide

CAS Number:

260435-42-5

Molecular Formula:

C15H19N5O

Molecular Weight:

285.3443

MDL Number:

MFCD10566005

IUPAC Name:

N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine oxide

InChI:

InChI=1S/C15H19N5O/c1-20(2,21)6-5-13-8-17-15-4-3-12(7-14(13)15)9-19-11-16-10-18-19/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3

InChI Key:

DQTBNOJGXNZYDG-UHFFFAOYSA-N

SMILES:

[O-][N+](CCc1c[nH]c2c1cc(cc2)Cn1cncn1)(C)C

UNII:

YNT22B2U4T

Complexity:

351

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.159g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.351g/mol

Monoisotopic Mass:

285.159g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5