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Home > Pyridines > 863711-84-6
863711-84-6 | 3-5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]-[1,3]diazepin-3-ylpyridine
CAS No: 863711-84-6 Catalog No: AG01EXWE MDL No:
Product Description
Catalog Number:
AG01EXWE
Chemical Name:
3-5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]-[1,3]diazepin-3-ylpyridine
CAS Number:
863711-84-6
Molecular Formula:
C11H13N5
Molecular Weight:
215.2544
IUPAC Name:
3-pyridin-3-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine
InChI:
InChI=1S/C11H13N5/c1-2-7-16-10(9-4-3-5-12-8-9)14-15-11(16)13-6-1/h3-5,8H,1-2,6-7H2,(H,13,15)
InChI Key:
WCAFXSSBATVQKU-UHFFFAOYSA-N
SMILES:
C1CNc2n(CC1)c(nn2)c1cccnc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.26g/mol
Monoisotopic Mass:
215.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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