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120116-62-3 | 1,2,4-Triazolo[3,4-a]phthalazine, 8-chloro-6-phenyl-3-(1-pyrrolidinylmethyl)-
CAS No: 120116-62-3 Catalog No: AG000QCD MDL No:
Product Description
Catalog Number:
AG000QCD
Chemical Name:
1,2,4-Triazolo[3,4-a]phthalazine, 8-chloro-6-phenyl-3-(1-pyrrolidinylmethyl)-
CAS Number:
120116-62-3
Molecular Formula:
C20H18ClN5
Molecular Weight:
363.8434
IUPAC Name:
8-chloro-6-phenyl-3-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C20H18ClN5/c21-15-8-9-16-17(12-15)19(14-6-2-1-3-7-14)24-26-18(22-23-20(16)26)13-25-10-4-5-11-25/h1-3,6-9,12H,4-5,10-11,13H2
InChI Key:
UYQJIZBJWCTJPZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(nn1c2nnc1CN1CCCC1)c1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.125g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.849g/mol
Monoisotopic Mass:
363.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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