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Home > Pyridines > 126861-35-6
126861-35-6 | Benzo[g]-1,2,3-triazolo[4',5':5,6]pyrido[2,1-b]quinazolin-13(1H)-one
CAS No: 126861-35-6 Catalog No: AG000TE7 MDL No:
Product Description
Catalog Number:
AG000TE7
Chemical Name:
Benzo[g]-1,2,3-triazolo[4',5':5,6]pyrido[2,1-b]quinazolin-13(1H)-one
CAS Number:
126861-35-6
Molecular Formula:
C16H9N5O
Molecular Weight:
287.2756
IUPAC Name:
3,5,6,7,12-pentazapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(21),4,7,9,11,13,15,17,19-nonaen-2-one
InChI:
InChI=1S/C16H9N5O/c22-16-11-7-9-3-1-2-4-10(9)8-13(11)17-14-6-5-12-15(21(14)16)19-20-18-12/h1-8H,(H,18,19,20)
InChI Key:
LPDBXBNQFLXKSG-UHFFFAOYSA-N
SMILES:
O=c1c2cc3ccccc3cc2nc2n1c1[nH]nnc1cc2
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.081g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.282g/mol
Monoisotopic Mass:
287.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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