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1369508-15-5 | 1,2,4-Triazolo[4,3-a]pyridin-3-amine, 6-nitro-
CAS No: 1369508-15-5 Catalog No: AG0012LK MDL No:MFCD19689436
Product Description
Catalog Number:
AG0012LK
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridin-3-amine, 6-nitro-
CAS Number:
1369508-15-5
Molecular Formula:
C6H5N5O2
Molecular Weight:
179.1362
MDL Number:
MFCD19689436
IUPAC Name:
6-nitro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
InChI:
InChI=1S/C6H5N5O2/c7-6-9-8-5-2-1-4(11(12)13)3-10(5)6/h1-3H,(H2,7,9)
InChI Key:
XDHRAEGNKOFBNS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2n(c1)c(N)nn2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.139g/mol
Monoisotopic Mass:
179.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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