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1422141-07-8 | 1-((1H-pyrazol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CAS No: 1422141-07-8 Catalog No: AG01DK4O MDL No:
Product Description
Catalog Number:
AG01DK4O
Chemical Name:
1-((1H-pyrazol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CAS Number:
1422141-07-8
Molecular Formula:
C11H15N5
Molecular Weight:
217.2703
IUPAC Name:
1-(pyrazol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
InChI:
InChI=1S/C11H15N5/c1-3-12-7-11-10(13-9-15(11)5-1)8-16-6-2-4-14-16/h2,4,6,9,12H,1,3,5,7-8H2
InChI Key:
QMGFSNGRPDOTBA-UHFFFAOYSA-N
SMILES:
C1NCc2n(CC1)cnc2Cn1cccn1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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