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15129-01-8 | [1,2,4]Triazolo[1,5-c]pyrimidin-2(3H)-one, 8-amino-7-chloro-
CAS No: 15129-01-8 Catalog No: AG001N8T MDL No:
Product Description
Catalog Number:
AG001N8T
Chemical Name:
[1,2,4]Triazolo[1,5-c]pyrimidin-2(3H)-one, 8-amino-7-chloro-
CAS Number:
15129-01-8
Molecular Formula:
C5H4ClN5O
Molecular Weight:
185.5712
IUPAC Name:
8-amino-7-chloro-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
InChI:
InChI=1S/C5H4ClN5O/c6-3-2(7)4-9-5(12)10-11(4)1-8-3/h1H,7H2,(H,10,12)
InChI Key:
KUKJEFXPECNHOR-UHFFFAOYSA-N
SMILES:
Nc1c(Cl)ncn2c1nc(=O)[nH]2
NSC Number:
111540
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.571g/mol
Monoisotopic Mass:
185.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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