Name: Name:3-methyl-1-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
Brand: Angene
SKU: AG01A1UD
Rating: 90 (10 reviews)

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

CAS No.:

1039823-99-8

Catalog Number:

AG01A1UD

Molecular Formula:

C9H14N6O

Molecular Weight:

222.2471

Catalog Number:

AG01A1UD

Chemical Name:

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

CAS Number:

1039823-99-8

Molecular Formula:

C9H14N6O

Molecular Weight:

222.2471

MDL Number:

MFCD11125447

IUPAC Name:

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

InChI:

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

InChI Key:

AIXVWDVKSCDBDK-UHFFFAOYSA-N

SMILES:

NC(c1onc(n1)c1[nH]cnn1)CC(C)C

Complexity:

226

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:

0.5