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197355-88-7 | 1H-PYRAZOLO[5,1-C][1,2,4]TRIAZOLE-3-ETHANAMINE
CAS No: 197355-88-7 Catalog No: AG002ARR MDL No:
Product Description
Catalog Number:
AG002ARR
Chemical Name:
1H-PYRAZOLO[5,1-C][1,2,4]TRIAZOLE-3-ETHANAMINE
CAS Number:
197355-88-7
Molecular Formula:
C6H9N5
Molecular Weight:
151.1692
IUPAC Name:
2-(5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethanamine
InChI:
InChI=1S/C6H9N5/c7-3-1-5-9-10-6-2-4-8-11(5)6/h2,4,8H,1,3,7H2
InChI Key:
IFCOXPMFEJMLOI-UHFFFAOYSA-N
SMILES:
NCCc1n[nH]c2n1ncc2
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.086g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.173g/mol
Monoisotopic Mass:
151.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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