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235-17-6 | [1,2,4]Triazolo[4,3-a]quinazoline (9CI)
CAS No: 235-17-6 Catalog No: AG002NEZ MDL No:
Product Description
Catalog Number:
AG002NEZ
Chemical Name:
[1,2,4]Triazolo[4,3-a]quinazoline (9CI)
CAS Number:
235-17-6
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
IUPAC Name:
[1,2,4]triazolo[4,3-a]quinazoline
InChI:
InChI=1S/C9H6N4/c1-2-4-8-7(3-1)5-10-9-12-11-6-13(8)9/h1-6H
InChI Key:
MIXPUXLJXCDOBL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1cnnc1nc2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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