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190440-38-1 | 2-Pyrazinamine, 3-(4-phenyl-1-piperazinyl)-
CAS No: 190440-38-1 Catalog No: AG002EK2 MDL No:
Product Description
Catalog Number:
AG002EK2
Chemical Name:
2-Pyrazinamine, 3-(4-phenyl-1-piperazinyl)-
CAS Number:
190440-38-1
Molecular Formula:
C14H17N5
Molecular Weight:
255.3183
IUPAC Name:
3-(4-phenylpiperazin-1-yl)pyrazin-2-amine
InChI:
InChI=1S/C14H17N5/c15-13-14(17-7-6-16-13)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h1-7H,8-11H2,(H2,15,16)
InChI Key:
YNRZGKMTPRMIHP-UHFFFAOYSA-N
SMILES:
Nc1nccnc1N1CCN(CC1)c1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.325g/mol
Monoisotopic Mass:
255.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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