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168152-86-1 | [1,2,4]Triazolo[1,5-a]pyrimidine, 7-propyl-5-(1-pyrrolidinyl)-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS No: 168152-86-1 Catalog No: AG001XUW MDL No:
Product Description
Catalog Number:
AG001XUW
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine, 7-propyl-5-(1-pyrrolidinyl)-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
168152-86-1
Molecular Formula:
C26H27N9
Molecular Weight:
465.5529
IUPAC Name:
7-propyl-5-pyrrolidin-1-yl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C26H27N9/c1-2-7-23-22(25(34-14-5-6-15-34)29-26-27-17-28-35(23)26)16-18-10-12-19(13-11-18)20-8-3-4-9-21(20)24-30-32-33-31-24/h3-4,8-13,17H,2,5-7,14-16H2,1H3,(H,30,31,32,33)
InChI Key:
ALPWHNOWURKVDX-UHFFFAOYSA-N
SMILES:
CCCc1c(Cc2ccc(cc2)c2ccccc2c2n[nH]nn2)c(nc2n1ncn2)N1CCCC1
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.239g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.565g/mol
Monoisotopic Mass:
465.239g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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