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1190380-49-4 | 1H-Pyrazol-4-amine, 1-(tetrahydro-2H-pyran-4-yl)-
CAS No: 1190380-49-4 Catalog No: AG000I3Z MDL No:MFCD11505007
Product Description
Catalog Number:
AG000I3Z
Chemical Name:
1H-Pyrazol-4-amine, 1-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
1190380-49-4
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD11505007
IUPAC Name:
1-(oxan-4-yl)pyrazol-4-amine
InChI:
InChI=1S/C8H13N3O/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4,9H2
InChI Key:
GZZNBQLBGSVOOZ-UHFFFAOYSA-N
SMILES:
Nc1cnn(c1)C1CCOCC1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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