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Home > Imidazoles > 1422136-07-9
1422136-07-9 | N-((6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)methyl)pyridazine-4-carboxamide
CAS No: 1422136-07-9 Catalog No: AG01DIGI MDL No:
Product Description
Catalog Number:
AG01DIGI
Chemical Name:
N-((6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)methyl)pyridazine-4-carboxamide
CAS Number:
1422136-07-9
Molecular Formula:
C13H16N6O
Molecular Weight:
272.3057
IUPAC Name:
N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyridazine-4-carboxamide
InChI:
InChI=1S/C13H16N6O/c20-13(11-1-2-17-18-7-11)16-6-10-5-14-8-12-15-3-4-19(12)9-10/h1-4,7,10,14H,5-6,8-9H2,(H,16,20)
InChI Key:
KFKQPXBPDSXRQK-UHFFFAOYSA-N
SMILES:
O=C(c1ccnnc1)NCC1CNCc2n(C1)ccn2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.139g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.312g/mol
Monoisotopic Mass:
272.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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