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Home > Imidazoles > 88945-45-3
88945-45-3 | 4H-Imidazol-4-imine, 3,5-dihydro-3-(2-pyrimidinyl)-
CAS No: 88945-45-3 Catalog No: AG0089VD MDL No:
Product Description
Catalog Number:
AG0089VD
Chemical Name:
4H-Imidazol-4-imine, 3,5-dihydro-3-(2-pyrimidinyl)-
CAS Number:
88945-45-3
Molecular Formula:
C7H7N5
Molecular Weight:
161.1640
IUPAC Name:
1-pyrimidin-2-yl-4H-imidazol-5-imine
InChI:
InChI=1S/C7H7N5/c8-6-4-9-5-12(6)7-10-2-1-3-11-7/h1-3,5,8H,4H2
InChI Key:
DCSOOYHVHBMODJ-UHFFFAOYSA-N
SMILES:
N=C1CN=CN1c1ncccn1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.168g/mol
Monoisotopic Mass:
161.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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