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1422141-12-5 | 3-((1H-imidazol-1-yl)methyl)-5,6,7,8-tetrahydro-4H-[1,2,3]triazolo[1,5-a][1,4]diazepine
CAS No: 1422141-12-5 Catalog No: AG01DK5H MDL No:
Product Description
Catalog Number:
AG01DK5H
Chemical Name:
3-((1H-imidazol-1-yl)methyl)-5,6,7,8-tetrahydro-4H-[1,2,3]triazolo[1,5-a][1,4]diazepine
CAS Number:
1422141-12-5
Molecular Formula:
C10H14N6
Molecular Weight:
218.2584
IUPAC Name:
3-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine
InChI:
InChI=1S/C10H14N6/c1-2-11-6-10-9(13-14-16(10)4-1)7-15-5-3-12-8-15/h3,5,8,11H,1-2,4,6-7H2
InChI Key:
GNAXOOMLRLEGCI-UHFFFAOYSA-N
SMILES:
C1NCc2n(CC1)nnc2Cn1cncc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.128g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.264g/mol
Monoisotopic Mass:
218.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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