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1010086-61-9 | 2-PyrazinaMine, 6-chloro-N-[1-(1,1-diMethylethyl)-1H-pyrazol-5-yl]-
CAS No: 1010086-61-9 Catalog No: AG0003HQ MDL No:
Product Description
Catalog Number:
AG0003HQ
Chemical Name:
2-PyrazinaMine, 6-chloro-N-[1-(1,1-diMethylethyl)-1H-pyrazol-5-yl]-
CAS Number:
1010086-61-9
Molecular Formula:
C11H14ClN5
Molecular Weight:
251.7154
IUPAC Name:
N-(2-tert-butylpyrazol-3-yl)-6-chloropyrazin-2-amine
InChI:
InChI=1S/C11H14ClN5/c1-11(2,3)17-10(4-5-14-17)16-9-7-13-6-8(12)15-9/h4-7H,1-3H3,(H,15,16)
InChI Key:
QOTJPJGBOWWFBB-UHFFFAOYSA-N
SMILES:
Clc1cncc(n1)Nc1ccnn1C(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.718g/mol
Monoisotopic Mass:
251.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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