Home Other Building Blocks rac-3-[(2R,3S)-3-methyloxolan-2-yl]-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one, cis

rac-3-[(2R,3S)-3-methyloxolan-2-yl]-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one, cis

CAS No.:
2059910-82-4
Catalog Number:
AG01C08A
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
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Product Description
Catalog Number:
AG01C08A
Chemical Name:
rac-3-[(2R,3S)-3-methyloxolan-2-yl]-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one, cis
CAS Number:
2059910-82-4
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
MDL Number:
MFCD30502891
IUPAC Name:
3-[(2S,3S)-3-methyloxolan-2-yl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C10H17N3O2/c1-6(2)13-9(11-12-10(13)14)8-7(3)4-5-15-8/h6-8H,4-5H2,1-3H3,(H,12,14)/t7-,8-/m0/s1
InChI Key:
IEZDNLQRENWHCC-YUMQZZPRSA-N
SMILES:
C[C@H]1CCO[C@H]1c1n[nH]c(=O)n1C(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
211.132g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.265g/mol
Monoisotopic Mass:
211.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties