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129449-76-9 | 1H-1,2,4-Triazolo[4,3-a][1,3]diazepine (9CI)
CAS No: 129449-76-9 Catalog No: AG000Z4X MDL No:
Product Description
Catalog Number:
AG000Z4X
Chemical Name:
1H-1,2,4-Triazolo[4,3-a][1,3]diazepine (9CI)
CAS Number:
129449-76-9
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
IUPAC Name:
9H-[1,2,4]triazolo[4,3-a][1,3]diazepine
InChI:
InChI=1S/C6H6N4/c1-2-4-10-5-8-9-6(10)7-3-1/h1-5H,(H,7,9)
InChI Key:
AUORNMYGNYOOFC-UHFFFAOYSA-N
SMILES:
c1cnc2n(cc1)cn[nH]2
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:
1
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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