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1422133-44-5 | 1-((1H-pyrrol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CAS No: 1422133-44-5 Catalog No: AG01DK1N MDL No:
Product Description
Catalog Number:
AG01DK1N
Chemical Name:
1-((1H-pyrrol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CAS Number:
1422133-44-5
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
IUPAC Name:
1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
InChI:
InChI=1S/C12H16N4/c1-2-6-15(5-1)9-11-12-8-13-4-3-7-16(12)10-14-11/h1-2,5-6,10,13H,3-4,7-9H2
InChI Key:
SYUGSIVOXKLQLQ-UHFFFAOYSA-N
SMILES:
C1NCc2n(CC1)cnc2Cn1cccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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