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Home > Pyridines > 1865121-29-4
1865121-29-4 | 3-tert-butyl-3H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridine
CAS No: 1865121-29-4 Catalog No: AG01BTC1 MDL No:MFCD29963164
Product Description
Catalog Number:
AG01BTC1
Chemical Name:
3-tert-butyl-3H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridine
CAS Number:
1865121-29-4
Molecular Formula:
C9H16N4
Molecular Weight:
180.2501
MDL Number:
MFCD29963164
IUPAC Name:
3-tert-butyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
InChI:
InChI=1S/C9H16N4/c1-9(2,3)13-8-6-10-5-4-7(8)11-12-13/h10H,4-6H2,1-3H3
InChI Key:
GLXIUQPFBGTAGD-UHFFFAOYSA-N
SMILES:
CC(n1nnc2c1CNCC2)(C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.255g/mol
Monoisotopic Mass:
180.137g/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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