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86662-54-6

86662-54-6 | 1-(Piperidinomethyl)-4-propyl-s-triazolo(4,3-a)quinazolin-5(4H)-one

CAS No: 86662-54-6 Catalog No: AG004KXB MDL No:

Product Description

Catalog Number:
AG004KXB
Chemical Name:
1-(Piperidinomethyl)-4-propyl-s-triazolo(4,3-a)quinazolin-5(4H)-one
CAS Number:
86662-54-6
Molecular Formula:
C18H23N5O
Molecular Weight:
325.4081
IUPAC Name:
1-(piperidin-1-ylmethyl)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
InChI:
InChI=1S/C18H23N5O/c1-2-10-22-17(24)14-8-4-5-9-15(14)23-16(19-20-18(22)23)13-21-11-6-3-7-12-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChI Key:
FFDDIHIPHFAQIN-UHFFFAOYSA-N
SMILES:
CCCn1c2nnc(n2c2c(c1=O)cccc2)CN1CCCCC1
UNII:
W2KGP0434Y

Properties

Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.19g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.416g/mol
Monoisotopic Mass:
325.19g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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