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946387-54-8 | 3H-Imidazo[4',5':5,6]pyrido[3,2-d]pyrimidine
CAS No: 946387-54-8 Catalog No: AG0069ET MDL No:
Product Description
Catalog Number:
AG0069ET
Chemical Name:
3H-Imidazo[4',5':5,6]pyrido[3,2-d]pyrimidine
CAS Number:
946387-54-8
Molecular Formula:
C8H5N5
Molecular Weight:
171.1588
IUPAC Name:
2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(13),2,4,7,9,11-hexaene
InChI:
InChI=1S/C8H5N5/c1-5-7(2-9-3-10-5)13-8-6(1)11-4-12-8/h1-4H,(H,11,12,13)
InChI Key:
NRSIXGGRIGWASP-UHFFFAOYSA-N
SMILES:
c1ncc2c(n1)cc1c(n2)[nH]cn1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.163g/mol
Monoisotopic Mass:
171.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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