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1010086-67-5 | 2-PyrazineMethanol, 6-[[1-(1,1-diMethylethyl)-1H-pyrazol-5-yl]aMino]-
CAS No: 1010086-67-5 Catalog No: AG0003HP MDL No:MFCD26383549
Product Description
Catalog Number:
AG0003HP
Chemical Name:
2-PyrazineMethanol, 6-[[1-(1,1-diMethylethyl)-1H-pyrazol-5-yl]aMino]-
CAS Number:
1010086-67-5
Molecular Formula:
C12H17N5O
Molecular Weight:
247.2963
MDL Number:
MFCD26383549
IUPAC Name:
[6-[(2-tert-butylpyrazol-3-yl)amino]pyrazin-2-yl]methanol
InChI:
InChI=1S/C12H17N5O/c1-12(2,3)17-11(4-5-14-17)16-10-7-13-6-9(8-18)15-10/h4-7,18H,8H2,1-3H3,(H,15,16)
InChI Key:
FNEJMGNXGHLKON-UHFFFAOYSA-N
SMILES:
OCc1cncc(n1)Nc1ccnn1C(C)(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.302g/mol
Monoisotopic Mass:
247.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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