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100557-04-8 | Ethanol, 2-[pentyl[5-(1-piperidinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-
CAS No: 100557-04-8 Catalog No: AG0002BY MDL No:
Product Description
Catalog Number:
AG0002BY
Chemical Name:
Ethanol, 2-[pentyl[5-(1-piperidinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-
CAS Number:
100557-04-8
Molecular Formula:
C17H28N6O
Molecular Weight:
332.4438
IUPAC Name:
2-[pentyl-(5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
InChI:
InChI=1S/C17H28N6O/c1-2-3-5-10-22(11-12-24)16-13-15(21-8-6-4-7-9-21)20-17-18-14-19-23(16)17/h13-14,24H,2-12H2,1H3
InChI Key:
JANOITYENFDMAC-UHFFFAOYSA-N
SMILES:
CCCCCN(c1cc(nc2n1ncn2)N1CCCCC1)CCO
UNII:
Y95X7MD6EZ
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.232g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.452g/mol
Monoisotopic Mass:
332.232g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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