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Home > Pyridines > 1556119-24-4
1556119-24-4 | 3-(PROPAN-2-YL)-3H,4H,5H,6H,7H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE
CAS No: 1556119-24-4 Catalog No: AG01BTBX MDL No:MFCD26730550
Product Description
Catalog Number:
AG01BTBX
Chemical Name:
3-(PROPAN-2-YL)-3H,4H,5H,6H,7H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE
CAS Number:
1556119-24-4
Molecular Formula:
C8H14N4
Molecular Weight:
166.2236
MDL Number:
MFCD26730550
IUPAC Name:
3-propan-2-yl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
InChI:
InChI=1S/C8H14N4/c1-6(2)12-8-5-9-4-3-7(8)10-11-12/h6,9H,3-5H2,1-2H3
InChI Key:
LOJFIOULIGGNBJ-UHFFFAOYSA-N
SMILES:
CC(n1nnc2c1CNCC2)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.122g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.228g/mol
Monoisotopic Mass:
166.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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