Name: Name:(1S)-1-{4-[(E)-(3,3-Dimethylbutan-2-ylidene)amino]-5-[(1R)-1-hydroxyethyl]-4H-1,2,4-triazol-3-yl}ethan-1-ol
Brand: Angene
SKU: AG01EW2V
Rating: 90 (10 reviews)

(1S)-1-{4-[(E)-(3,3-Dimethylbutan-2-ylidene)amino]-5-[(1R)-1-hydroxyethyl]-4H-1,2,4-triazol-3-yl}ethan-1-ol

CAS No.:

461383-09-5

Catalog Number:

AG01EW2V

Molecular Formula:

C12H22N4O2

Molecular Weight:

254.3287

Catalog Number:

AG01EW2V

Chemical Name:

(1S)-1-{4-[(E)-(3,3-Dimethylbutan-2-ylidene)amino]-5-[(1R)-1-hydroxyethyl]-4H-1,2,4-triazol-3-yl}ethan-1-ol

CAS Number:

461383-09-5

Molecular Formula:

C12H22N4O2

Molecular Weight:

254.3287

MDL Number:

MFCD00970809

IUPAC Name:

(1S)-1-[4-[(E)-3,3-dimethylbutan-2-ylideneamino]-5-[(1R)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol

InChI:

InChI=1S/C12H22N4O2/c1-7(17)10-13-14-11(8(2)18)16(10)15-9(3)12(4,5)6/h7-8,17-18H,1-6H3/b15-9+/t7-,8+

InChI Key:

BEQCWQOVGAXJNX-RJWSCKMHSA-N

SMILES:

C/C(=N\n1c(nnc1[C@@H](O)C)[C@H](O)C)/C(C)(C)C

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.334g/mol

Monoisotopic Mass:

254.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2