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127400-74-2 | 1H-[1,2,4]Triazolo[1',5':1,5]pyrazolo[3,4-b]pyridine (9CI)
CAS No: 127400-74-2 Catalog No: AG000X15 MDL No:
Product Description
Catalog Number:
AG000X15
Chemical Name:
1H-[1,2,4]Triazolo[1',5':1,5]pyrazolo[3,4-b]pyridine (9CI)
CAS Number:
127400-74-2
Molecular Formula:
C7H5N5
Molecular Weight:
159.1481
IUPAC Name:
3,5,6,7,9-pentazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene
InChI:
InChI=1S/C7H5N5/c1-2-5-6(8-3-1)11-12-7(5)9-4-10-12/h1-4H,(H,8,11)
InChI Key:
PVXDWHKGQPVNDH-UHFFFAOYSA-N
SMILES:
c1cnc2c(c1)c1[nH]cnn1n2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.152g/mol
Monoisotopic Mass:
159.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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