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29176-18-9 | 1H-Pyrazolo[5,1-c]-1,2,4-triazole
CAS No: 29176-18-9 Catalog No: AG002XKQ MDL No:
Product Description
Catalog Number:
AG002XKQ
Chemical Name:
1H-Pyrazolo[5,1-c]-1,2,4-triazole
CAS Number:
29176-18-9
Molecular Formula:
C4H4N4
Molecular Weight:
108.1014
IUPAC Name:
5H-pyrazolo[5,1-c][1,2,4]triazole
InChI:
InChI=1S/C4H4N4/c1-2-6-8-3-5-7-4(1)8/h1-3,6H
InChI Key:
OIEZYGRXFUXQHT-UHFFFAOYSA-N
SMILES:
c1nn2c(c1)[nH]nc2
Properties
Complexity:
94
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.044g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.104g/mol
Monoisotopic Mass:
108.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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