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1422063-34-0 | 6-((1H-pyrazol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
CAS No: 1422063-34-0 Catalog No: AG01DK4W MDL No:
Product Description
Catalog Number:
AG01DK4W
Chemical Name:
6-((1H-pyrazol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
CAS Number:
1422063-34-0
Molecular Formula:
C11H15N5
Molecular Weight:
217.2703
IUPAC Name:
6-(pyrazol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
InChI:
InChI=1S/C11H15N5/c1-2-14-16(4-1)9-10-6-12-7-11-13-3-5-15(11)8-10/h1-5,10,12H,6-9H2
InChI Key:
KJAYCFITAZBBBD-UHFFFAOYSA-N
SMILES:
c1cnn(c1)CC1CNCc2n(C1)ccn2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.133g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.276g/mol
Monoisotopic Mass:
217.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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