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1000896-69-4 | 1H-Pyrazol-3-amine, 5-(tetrahydro-2H-pyran-4-yl)-
CAS No: 1000896-69-4 Catalog No: AG0000VR MDL No:MFCD17243848
Product Description
Catalog Number:
AG0000VR
Chemical Name:
1H-Pyrazol-3-amine, 5-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
1000896-69-4
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD17243848
IUPAC Name:
5-(oxan-4-yl)-1H-pyrazol-3-amine
InChI:
InChI=1S/C8H13N3O/c9-8-5-7(10-11-8)6-1-3-12-4-2-6/h5-6H,1-4H2,(H3,9,10,11)
InChI Key:
AQPGNHFZFXIMJB-UHFFFAOYSA-N
SMILES:
Nc1cc([nH]n1)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:
2
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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