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192445-88-8 | 1H-Imidazo[2,1-d][1,2,5]triazepine (9CI)
CAS No: 192445-88-8 Catalog No: AG002FZL MDL No:
Product Description
Catalog Number:
AG002FZL
Chemical Name:
1H-Imidazo[2,1-d][1,2,5]triazepine (9CI)
CAS Number:
192445-88-8
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
IUPAC Name:
7H-imidazo[2,1-d][1,2,5]triazepine
InChI:
InChI=1S/C6H6N4/c1-3-10-4-2-8-9-5-6(10)7-1/h1-5,8H
InChI Key:
UDBDQPBJRVGJFK-UHFFFAOYSA-N
SMILES:
n1ncc2n(cc1)cc[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:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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