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1190392-80-3 | 5H-Pyrrolo[1,2-b][1,2,4]triazole-5-methanol, 6,7-dihydro-, (5S)-
CAS No: 1190392-80-3 Catalog No: AG000I3R MDL No:MFCD19690775
Product Description
Catalog Number:
AG000I3R
Chemical Name:
5H-Pyrrolo[1,2-b][1,2,4]triazole-5-methanol, 6,7-dihydro-, (5S)-
CAS Number:
1190392-80-3
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD19690775
IUPAC Name:
[(5S)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-yl]methanol
InChI:
InChI=1S/C6H9N3O/c10-3-5-1-2-6-7-4-8-9(5)6/h4-5,10H,1-3H2/t5-/m0/s1
InChI Key:
OKLMNNIODAMXJU-YFKPBYRVSA-N
SMILES:
OC[C@@H]1CCc2n1ncn2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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