Home Other Building Blocks 2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}propan-2-ol

2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}propan-2-ol

CAS No.:
1159554-01-4
Catalog Number:
AG01B548
Molecular Formula:
C8H14N4O
Molecular Weight:
182.2230
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Product Description
Catalog Number:
AG01B548
Chemical Name:
2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}propan-2-ol
CAS Number:
1159554-01-4
Molecular Formula:
C8H14N4O
Molecular Weight:
182.2230
IUPAC Name:
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol
InChI:
InChI=1S/C8H14N4O/c1-8(2,13)7-11-10-6-5-9-3-4-12(6)7/h9,13H,3-5H2,1-2H3
InChI Key:
VXBXQNXIHIDTHB-UHFFFAOYSA-N
SMILES:
CC(c1nnc2n1CCNC2)(O)C
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.117g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.227g/mol
Monoisotopic Mass:
182.117g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Properties