Name: Name:1-(5-amino-4H-1,2,4-triazol-3-yl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG01A9XA
Rating: 90 (10 reviews)

1-(5-amino-4H-1,2,4-triazol-3-yl)piperidine-4-carboxylic acid

CAS No.:

1251924-54-5

Catalog Number:

AG01A9XA

Molecular Formula:

C8H13N5O2

Molecular Weight:

211.2211

Catalog Number:

AG01A9XA

Chemical Name:

1-(5-amino-4H-1,2,4-triazol-3-yl)piperidine-4-carboxylic acid

CAS Number:

1251924-54-5

Molecular Formula:

C8H13N5O2

Molecular Weight:

211.2211

MDL Number:

MFCD16817481

IUPAC Name:

1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-4-carboxylic acid

InChI:

InChI=1S/C8H13N5O2/c9-7-10-8(12-11-7)13-3-1-5(2-4-13)6(14)15/h5H,1-4H2,(H,14,15)(H3,9,10,11,12)

InChI Key:

RBOXDPNEPJIQKC-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCN(CC1)c1nnc([nH]1)N

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.225g/mol

Monoisotopic Mass:

211.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1