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1422063-72-6 | 3-((1H-pyrazol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine
CAS No: 1422063-72-6 Catalog No: AG01DK4Z MDL No:
Product Description
Catalog Number:
AG01DK4Z
Chemical Name:
3-((1H-pyrazol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine
CAS Number:
1422063-72-6
Molecular Formula:
C11H15N5
Molecular Weight:
217.2703
IUPAC Name:
3-(pyrazol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine
InChI:
InChI=1S/C11H15N5/c1-3-14-15(6-1)9-10-8-13-11-2-4-12-5-7-16(10)11/h1,3,6,8,12H,2,4-5,7,9H2
InChI Key:
QWDUCBKPNUDVFZ-UHFFFAOYSA-N
SMILES:
N1CCc2n(CC1)c(cn2)Cn1cccn1
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:
-0.5
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