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Home > Other Heterocycles > 675591-29-4
675591-29-4 | 4-PYRIMIDIN-5-YL-1,4-DIAZABICYCLO[3.1.1]HEPTANE
CAS No: 675591-29-4 Catalog No: AG005ZM3 MDL No:
Product Description
Catalog Number:
AG005ZM3
Chemical Name:
4-PYRIMIDIN-5-YL-1,4-DIAZABICYCLO[3.1.1]HEPTANE
CAS Number:
675591-29-4
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
IUPAC Name:
4-pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane
InChI:
InChI=1S/C9H12N4/c1-2-13(9-5-12(1)6-9)8-3-10-7-11-4-8/h3-4,7,9H,1-2,5-6H2
InChI Key:
IPEXQVDYKNICCV-UHFFFAOYSA-N
SMILES:
c1ncc(cn1)N1CCN2CC1C2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.223g/mol
Monoisotopic Mass:
176.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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