Home Nitriles 1-(azetidin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile hydrochloride

1-(azetidin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile hydrochloride

CAS No.:
2044714-48-7
Catalog Number:
AG01BV6F
Molecular Formula:
C8H9ClN4O2
Molecular Weight:
228.6357
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Product Description
Catalog Number:
AG01BV6F
Chemical Name:
1-(azetidin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile hydrochloride
CAS Number:
2044714-48-7
Molecular Formula:
C8H9ClN4O2
Molecular Weight:
228.6357
MDL Number:
MFCD30476284
IUPAC Name:
1-(azetidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile;hydrochloride
InChI:
InChI=1S/C8H8N4O2.ClH/c9-1-5-4-12(6-2-10-3-6)8(14)11-7(5)13;/h4,6,10H,2-3H2,(H,11,13,14);1H
InChI Key:
FOBNYRFROKWIAJ-UHFFFAOYSA-N
SMILES:
N#Cc1cn(C2CNC2)c(=O)[nH]c1=O.Cl
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.636g/mol
Monoisotopic Mass:
228.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties