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1706454-54-7 | 4-(3-methyl-1H-pyrazol-1-yl)-6-(piperazin-1-yl)pyrimidine
CAS No: 1706454-54-7 Catalog No: AG01FLVC MDL No:MFCD28012699
Product Description
Catalog Number:
AG01FLVC
Chemical Name:
4-(3-methyl-1H-pyrazol-1-yl)-6-(piperazin-1-yl)pyrimidine
CAS Number:
1706454-54-7
Molecular Formula:
C12H16N6
Molecular Weight:
244.2956
MDL Number:
MFCD28012699
IUPAC Name:
4-(3-methylpyrazol-1-yl)-6-piperazin-1-ylpyrimidine
InChI:
InChI=1S/C12H16N6/c1-10-2-5-18(16-10)12-8-11(14-9-15-12)17-6-3-13-4-7-17/h2,5,8-9,13H,3-4,6-7H2,1H3
InChI Key:
PXASMWLVSLYFNT-UHFFFAOYSA-N
SMILES:
Cc1ccn(n1)c1ncnc(c1)N1CCNCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.144g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.302g/mol
Monoisotopic Mass:
244.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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