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Home > Imidazoles > 2044927-37-7
2044927-37-7 | 1-methyl-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1H-imidazole
CAS No: 2044927-37-7 Catalog No: AG01B789 MDL No:MFCD30487200
Product Description
Catalog Number:
AG01B789
Chemical Name:
1-methyl-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1H-imidazole
CAS Number:
2044927-37-7
Molecular Formula:
C9H12N6
Molecular Weight:
204.2318
MDL Number:
MFCD30487200
IUPAC Name:
3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C9H12N6/c1-14-5-7(11-6-14)9-13-12-8-4-10-2-3-15(8)9/h5-6,10H,2-4H2,1H3
InChI Key:
JUDZQXVSXULYBI-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1)c1nnc2n1CCNC2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.237g/mol
Monoisotopic Mass:
204.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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