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893424-21-0 | Pyrimidine, 2-[5-(4-piperidinyl)-1H-1,2,4-triazol-3-yl]-
CAS No: 893424-21-0 Catalog No: AG003ZGB MDL No:
Product Description
Catalog Number:
AG003ZGB
Chemical Name:
Pyrimidine, 2-[5-(4-piperidinyl)-1H-1,2,4-triazol-3-yl]-
CAS Number:
893424-21-0
Molecular Formula:
C11H14N6
Molecular Weight:
230.2691
IUPAC Name:
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrimidine
InChI:
InChI=1S/C11H14N6/c1-4-13-10(14-5-1)11-15-9(16-17-11)8-2-6-12-7-3-8/h1,4-5,8,12H,2-3,6-7H2,(H,15,16,17)
InChI Key:
YSLCBWCBLLEWMX-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1[nH]nc(n1)c1ncccn1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.128g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.275g/mol
Monoisotopic Mass:
230.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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