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Home > Pyridines > 923106-19-8
923106-19-8 | 4,6-dimethyl-2-[4-(pyridine-2-carbonyl)-1H-1,2,3-triazol-1-yl]pyrimidine
CAS No: 923106-19-8 Catalog No: AG00IXQF MDL No:MFCD08064718
Product Description
Catalog Number:
AG00IXQF
Chemical Name:
4,6-dimethyl-2-[4-(pyridine-2-carbonyl)-1H-1,2,3-triazol-1-yl]pyrimidine
CAS Number:
923106-19-8
Molecular Formula:
C14H12N6O
Molecular Weight:
280.2847
MDL Number:
MFCD08064718
IUPAC Name:
[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]-pyridin-2-ylmethanone
InChI:
InChI=1S/C14H12N6O/c1-9-7-10(2)17-14(16-9)20-8-12(18-19-20)13(21)11-5-3-4-6-15-11/h3-8H,1-2H3
InChI Key:
HNOMJZKYZNBULU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)n1nnc(c1)C(=O)c1ccccn1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.291g/mol
Monoisotopic Mass:
280.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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