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15128-97-9 | 1,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one, 8-amino-7-chloro-2-(phenylmethyl)-
CAS No: 15128-97-9 Catalog No: AG001N8V MDL No:
Product Description
Catalog Number:
AG001N8V
Chemical Name:
1,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one, 8-amino-7-chloro-2-(phenylmethyl)-
CAS Number:
15128-97-9
Molecular Formula:
C12H10ClN5O
Molecular Weight:
275.6937
IUPAC Name:
8-amino-2-benzyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
InChI:
InChI=1S/C12H10ClN5O/c13-10-9(14)11-16-18(12(19)17(11)7-15-10)6-8-4-2-1-3-5-8/h1-5,7H,6,14H2
InChI Key:
MBWHKSDZVVVINX-UHFFFAOYSA-N
SMILES:
Clc1ncn2c(c1N)nn(c2=O)Cc1ccccc1
NSC Number:
111539
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.696g/mol
Monoisotopic Mass:
275.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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