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942025-97-0 | 3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)pyridine
CAS No: 942025-97-0 Catalog No: AG01A00P MDL No:MFCD13431560
Product Description
Catalog Number:
AG01A00P
Chemical Name:
3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)pyridine
CAS Number:
942025-97-0
Molecular Formula:
C13H16N4
Molecular Weight:
228.2929
MDL Number:
MFCD13431560
IUPAC Name:
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pyridine
InChI:
InChI=1S/C13H16N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h4,7-10H,1-3,5-6H2,(H,15,16,17)
InChI Key:
CKSUQPRNBBIFGA-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)c1n[nH]c(n1)c1cccnc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.299g/mol
Monoisotopic Mass:
228.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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