Name: Name:2,2-dimethyl-1-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
Brand: Angene
SKU: AG01A1W9
Rating: 90 (10 reviews)

2,2-dimethyl-1-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

CAS No.:

1153519-17-5

Catalog Number:

AG01A1W9

Molecular Formula:

C9H14N6O

Molecular Weight:

222.2471

Catalog Number:

AG01A1W9

Chemical Name:

2,2-dimethyl-1-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

CAS Number:

1153519-17-5

Molecular Formula:

C9H14N6O

Molecular Weight:

222.2471

MDL Number:

MFCD12177014

IUPAC Name:

2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

InChI:

InChI=1S/C9H14N6O/c1-9(2,3)5(10)8-13-7(15-16-8)6-11-4-12-14-6/h4-5H,10H2,1-3H3,(H,11,12,14)

InChI Key:

ITFNIZSGXYLNNO-UHFFFAOYSA-N

SMILES:

NC(C(C)(C)C)c1onc(n1)c1nnc[nH]1

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.123g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.252g/mol

Monoisotopic Mass:

222.123g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6