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158655-26-6 | Piperidine, 4-(1H-1,2,4-triazol-1-yl)-
CAS No: 158655-26-6 Catalog No: AG001QPX MDL No:MFCD11042725
Product Description
Catalog Number:
AG001QPX
Chemical Name:
Piperidine, 4-(1H-1,2,4-triazol-1-yl)-
CAS Number:
158655-26-6
Molecular Formula:
C7H12N4
Molecular Weight:
152.1970
MDL Number:
MFCD11042725
IUPAC Name:
4-(1,2,4-triazol-1-yl)piperidine
InChI:
InChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-6-9-5-10-11/h5-8H,1-4H2
InChI Key:
KFJYLCFNRATSPE-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)n1ncnc1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.201g/mol
Monoisotopic Mass:
152.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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