Name: Name:3,5-dimethyl-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole
Brand: Angene
SKU: AG01BV69
Rating: 90 (10 reviews)

3,5-dimethyl-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole

CAS No.:

1604353-74-3

Catalog Number:

AG01BV69

Molecular Formula:

C9H16N4

Molecular Weight:

180.2501

Catalog Number:

AG01BV69

Chemical Name:

3,5-dimethyl-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole

CAS Number:

1604353-74-3

Molecular Formula:

C9H16N4

Molecular Weight:

180.2501

MDL Number:

MFCD30476280

IUPAC Name:

3,5-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4-triazole

InChI:

InChI=1S/C9H16N4/c1-7-11-8(2)13(12-7)6-9-4-3-5-10-9/h9-10H,3-6H2,1-2H3/t9-/m0/s1

InChI Key:

FGUCCXYRINXZQD-VIFPVBQESA-N

SMILES:

Cc1nn(c(n1)C)C[C@@H]1CCCN1

Complexity:

173

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.255g/mol

Monoisotopic Mass:

180.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9