Home Halogens 2-chloro-6-(1H-1,2,4-triazol-1-yl)pyrazine

2-chloro-6-(1H-1,2,4-triazol-1-yl)pyrazine

CAS No.:
1086110-85-1
Catalog Number:
AG019XHD
Molecular Formula:
C6H4ClN5
Molecular Weight:
181.5825
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Product Description
Catalog Number:
AG019XHD
Chemical Name:
2-chloro-6-(1H-1,2,4-triazol-1-yl)pyrazine
CAS Number:
1086110-85-1
Molecular Formula:
C6H4ClN5
Molecular Weight:
181.5825
MDL Number:
MFCD11621996
IUPAC Name:
2-chloro-6-(1,2,4-triazol-1-yl)pyrazine
InChI:
InChI=1S/C6H4ClN5/c7-5-1-8-2-6(11-5)12-4-9-3-10-12/h1-4H
InChI Key:
FWRVCHWLTLLRDR-UHFFFAOYSA-N
SMILES:
Clc1cncc(n1)n1cncn1
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.016g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.583g/mol
Monoisotopic Mass:
181.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties