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17756-35-3 | 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,6-dihydro-3-(phenylmethyl)-
CAS No: 17756-35-3 Catalog No: AG0025E9 MDL No:
Product Description
Catalog Number:
AG0025E9
Chemical Name:
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,6-dihydro-3-(phenylmethyl)-
CAS Number:
17756-35-3
Molecular Formula:
C11H10N6O
Molecular Weight:
242.2367
IUPAC Name:
5-amino-3-benzyl-6H-triazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C11H10N6O/c12-11-13-9-8(10(18)14-11)15-16-17(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,18)
InChI Key:
OLKBWLGASVXSJN-UHFFFAOYSA-N
SMILES:
Nc1[nH]c(=O)c2c(n1)n(nn2)Cc1ccccc1
NSC Number:
29595
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.242g/mol
Monoisotopic Mass:
242.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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