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795310-37-1 | Piperidine, 4-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-
CAS No: 795310-37-1 Catalog No: AG0051DZ MDL No:
Product Description
Catalog Number:
AG0051DZ
Chemical Name:
Piperidine, 4-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-
CAS Number:
795310-37-1
Molecular Formula:
C11H20N4
Molecular Weight:
208.3033
IUPAC Name:
4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
InChI:
InChI=1S/C11H20N4/c1-8(2)11-14-13-9(3)15(11)10-4-6-12-7-5-10/h8,10,12H,4-7H2,1-3H3
InChI Key:
GAQAYIMKNXXARO-UHFFFAOYSA-N
SMILES:
Cc1nnc(n1C1CCNCC1)C(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.169g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.309g/mol
Monoisotopic Mass:
208.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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