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1281384-74-4 | 5-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]quinoline
CAS No: 1281384-74-4 Catalog No: AG019QZ1 MDL No:MFCD20441612
Product Description
Catalog Number:
AG019QZ1
Chemical Name:
5-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]quinoline
CAS Number:
1281384-74-4
Molecular Formula:
C14H14N4
Molecular Weight:
238.2878
MDL Number:
MFCD20441612
IUPAC Name:
5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline
InChI:
InChI=1S/C14H14N4/c1-9(2)13-16-14(18-17-13)11-5-3-7-12-10(11)6-4-8-15-12/h3-9H,1-2H3,(H,16,17,18)
InChI Key:
CIVUXSXYRBASCE-UHFFFAOYSA-N
SMILES:
CC(c1[nH]nc(n1)c1cccc2c1cccn2)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.294g/mol
Monoisotopic Mass:
238.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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