Home Halogens 6-chloro-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-chloro-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

CAS No.:
1378849-61-6
Catalog Number:
AG01A6V2
Molecular Formula:
C5H3ClN4O
Molecular Weight:
170.5565
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Product Description
Catalog Number:
AG01A6V2
Chemical Name:
6-chloro-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CAS Number:
1378849-61-6
Molecular Formula:
C5H3ClN4O
Molecular Weight:
170.5565
MDL Number:
MFCD20670046
IUPAC Name:
6-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C5H3ClN4O/c6-3-1-7-5-8-2-9-10(5)4(3)11/h1-2H,(H,7,8,9)
InChI Key:
RTBFJLXECSQGAW-UHFFFAOYSA-N
SMILES:
Clc1c[nH]c2n(c1=O)ncn2
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.556g/mol
Monoisotopic Mass:
170g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties