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147688-57-1 | 9H-1,2,4-Triazolo[4,3-a][1,4]diazepine
CAS No: 147688-57-1 Catalog No: AG001F3B MDL No:
Product Description
Catalog Number:
AG001F3B
Chemical Name:
9H-1,2,4-Triazolo[4,3-a][1,4]diazepine
CAS Number:
147688-57-1
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
IUPAC Name:
9H-[1,2,4]triazolo[4,3-a][1,4]diazepine
InChI:
InChI=1S/C6H6N4/c1-2-7-4-6-9-8-5-10(6)3-1/h1-3,5H,4H2
InChI Key:
JRRDTCHKNKJPOG-UHFFFAOYSA-N
SMILES:
C1N=CC=Cn2c1nnc2
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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