Name: Name:1-[5-(butan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
Brand: Angene
SKU: AG01BDPD
Rating: 90 (10 reviews)

1-[5-(butan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine

CAS No.:

1343630-75-0

Catalog Number:

AG01BDPD

Molecular Formula:

C8H16N4

Molecular Weight:

168.2394

Catalog Number:

AG01BDPD

Chemical Name:

1-[5-(butan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine

CAS Number:

1343630-75-0

Molecular Formula:

C8H16N4

Molecular Weight:

168.2394

MDL Number:

MFCD18872137

IUPAC Name:

1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

InChI:

InChI=1S/C8H16N4/c1-4-5(2)7-10-8(6(3)9)12-11-7/h5-6H,4,9H2,1-3H3,(H,10,11,12)

InChI Key:

BGBBOYOXJQCQHL-UHFFFAOYSA-N

SMILES:

CCC(c1nnc([nH]1)C(N)C)C

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.244g/mol

Monoisotopic Mass:

168.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8